SCHEMBL729057

SCHEMBL729057

NC(Cc1c[nH]cn1)C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.44
LAP3 P28838 1/20 0.44
IDO1 P14902 1/20 0.44
SLC15A1 P46059 1/20 0.41
TACR1 P25103 2/20 0.41
SLC1A3 P43003 1/20 0.40
SLC1A1 P43005 1/20 0.40
ALDH1A1 P00352 2/20 0.40
ALPI P09923 1/20 0.40
PKM P14618 1/20 0.40
PTGS1 P23219 1/20 0.40
XIAP P98170 1/20 0.40
SLC7A5 Q01650 1/20 0.40
MAPT P10636 1/20 0.39
S1PR1 P21453 1/20 0.39
CTRB1 P17538 2/20 0.39
MEN1 O00255 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
PLA2G2A P14555 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL713212 1.00 LTA4H (0.44) LTA4HLAP3IDO1SLC15A1TACR1
Hydrochloric Acid SCHEMBL9515675 0.99 LTA4H (0.43) LTA4HLAP3IDO1SLC15A1TACR1
Hydrochloric Acid SCHEMBL7273689 0.99 LTA4H (0.43) LTA4HLAP3IDO1SLC15A1TACR1
Hydrochloric Acid SCHEMBL7273682 0.99 LTA4H (0.43) LTA4HLAP3IDO1SLC15A1TACR1
Hydrochloric Acid SCHEMBL9515682 0.99 LTA4H (0.43) LTA4HLAP3IDO1SLC15A1TACR1
SCHEMBL29854006 0.89 LTA4H (0.39) LTA4HLAP3IDO1SLC15A1SLC1A3
SCHEMBL3626015 0.87 NPC1 (0.40) LTA4HALDH1A1ALPIPKMPTGS1
SCHEMBL3155213 0.87 ALPI (0.46) LTA4HLAP3SLC15A1SLC1A3SLC1A1
SCHEMBL7353357 0.86 LMNA (0.43) LTA4HLAP3IDO1TACR1ALDH1A1
SCHEMBL7280864 0.86 LMNA (0.43) LTA4HLAP3IDO1TACR1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107556438-B Multi-responsive cross-linked polymer, drug-loaded nano micelle and preparation method thereof 西南民族大学 2020-05-12 CN claimed
US-9598288-B2 Method for preparing zinc-histidine self-assembly biomimetric complex, zinc-histidine self-assembly complex prepared by said method, and method for reducing carbon dioxide using said zinc-histidine self-assembly complex INDUSTRY-ACADEMIC COOPERATION FOUNDATION YONSEI UNIVERSITY (KR) 2017-03-21 US claimed
US-20150151974-A1 METHOD FOR PREPARING ZINC-HISTIDINE SELF-ASSEMBLY BIOMIMETRIC COMPLEX, ZINC-HISTIDINE SELF-ASSEMBLY COMPLEX PREPARED BY SAID METHOD, AND METHOD FOR REDUCING CARBON DIOXIDE USING SAID ZINC-HISTIDINE SELF-ASSEMBLY COMPLEX INDUSTRY-ACADEMIC COOPERATION FOUNDATION YONSEI UNIVERSITY (KR) 2015-06-04 US claimed
CN-102241674-B Synthesis method and antitumor activity evaluation of 1,1-dimethyl-beta-carboline-3-formacyl amino acid benzyl ester UNIV CAPITAL MEDICAL 2012-09-12 CN claimed
CN-101906102-B Beta-carboline alkaloid derivative, preparation method and application thereof UNIV CAPITAL MEDICAL 2012-08-29 CN claimed
CN-102250202-A 1-paranitrophenyl-beta-carboline-3-formyl amine acid carbamates and synthesis method and use thereof UNIV CAPITAL MEDICAL 2011-11-23 CN claimed
CN-102241674-A Synthesis method and antitumor activity evaluation of 1,1-dimethyl-beta-carboline-3-formacyl amino acid benzyl ester UNIV CAPITAL MEDICAL 2011-11-16 CN claimed
CN-101497615-B Substituted purine, preparation and use in medicine ZHEJIANG MED XINCHANG PHARM 2010-12-15 CN claimed
CN-101906102-A Beta-carboline alkaloid derivative, preparation method and application thereof UNIV CAPITAL MEDICAL 2010-12-08 CN claimed
CN-101497615-A Substituted purine, preparation and use in medicine XINCHANG PHARMACEUTICAL FACTORY ZHEJIANG MEDICINE CO LTD (CN) 2009-08-05 CN claimed
EP-0565646-A4 1994-08-03 EP claimed
EP-0565646-A1 NUCLEOSIDES AND OLIGONUCLEOSIDES WITH A PHOSPHATE-FREE INTERNUCLEOSIDE BACKBONE AND PROCESS FOR PREPARING THE SAME BAYLOR COLLEGE OF MEDICINE (US) 1993-10-20 EP claimed
WO-1992018518-A1 NUCLEOSIDES AND OLIGONUCLEOSIDES WITH A PHOSPHATE-FREE INTERNUCLEOSIDE BACKBONE AND PROCESS FOR PREPARING THE SAME BAYLOR COLLEGE OF MEDICINE (US) 1992-10-29 WO claimed
JP-1026596-A None JP disclosed
CN-107556438-B Multi-responsive cross-linked polymer, drug-loaded nano micelle and preparation method thereof 西南民族大学 2020-05-12 CN disclosed
US-9598288-B2 Method for preparing zinc-histidine self-assembly biomimetric complex, zinc-histidine self-assembly complex prepared by said method, and method for reducing carbon dioxide using said zinc-histidine self-assembly complex INDUSTRY-ACADEMIC COOPERATION FOUNDATION YONSEI UNIVERSITY (KR) 2017-03-21 US disclosed
EP-0341602-A2 Renin-inhibiting functionalized peptidyl aminodiols and - triols ABBOTT LABORATORIES (US) 1989-11-15 EP disclosed
EP-0307837-A2 Renin-inhibiting peptidyl heterocycles ABBOTT LABORATORIES (US) 1989-03-22 EP disclosed
US-4665056-A CENTRAL NERVOUS SYSTEM DISORDERS TANABE SEIYAKU CO., LTD. (JP) 1987-05-12 US disclosed
EP-0168042-A2 Dihydroorotic acid derivatives, processes for their preparing and pharmaceutical composition containing them TANABE SEIYAKU CO., LTD. (JP) 1986-01-15 EP disclosed