SCHEMBL4587308

SCHEMBL4587308

NCC(=O)Oc1ccc(C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.52
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
PARP15 Q460N3 1/20 0.50
PARP10 Q53GL7 1/20 0.50
PKM P14618 1/20 0.48
TP53 P04637 2/20 0.48
TSHR P16473 2/20 0.48
ELANE P08246 1/20 0.47
KMT2A Q03164 2/20 0.47
ESR1 P03372 1/20 0.47
RECQL P46063 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.47
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
SRD5A2 P31213 2/20 0.44
HTT P42858 1/20 0.44
MAPK1 P28482 1/20 0.43

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
SCHEMBL28216941 0.84 PARP10 (0.57) CA1CA2PARP15PARP10KMT2A
SCHEMBL28131356 0.83 ELANE (0.70) PARP10ELANEKMT2ASRD5A2HTT
SCHEMBL10593101 0.82 KMT2A (0.57) HSD17B10ELANEKMT2AESR1RECQL
SCHEMBL43401 0.81 CYP19A1 (0.52) HSD17B10ELANEKMT2AHTT
SCHEMBL4801933 0.81 F2 (0.53)
SCHEMBL15501169 0.81 HSD17B10 (0.58) HSD17B10CA1CA2PKMTP53
SCHEMBL6691150 0.80 HSD17B10 (0.52) HSD17B10CA1CA2PARP15PARP10
SCHEMBL6697455 0.80 HSD17B10 (0.52) HSD17B10CA1CA2PARP15PARP10
SCHEMBL6699565 0.80 HSD17B10 (0.52) HSD17B10CA1CA2PARP15PARP10
SCHEMBL6866158 0.80 KMT2A (0.55) HSD17B10CA1CA2PARP15PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3302493-B1 INHIBITORS OF CYSTINE-GLUTAMATE TRANSPORTER FOR USE IN TREATING OR PREVENTING SUBSTANCE-RELATED AND ADDICTIVE DISORDERS UNIV CHINA MEDICAL (TW) 2021-07-07 EP claimed
CN-101346471-B Triprenyl phenol compound, process for producing triisoprenyl phenol compound, and thrombolysis promoter TOKYO UNIVERSITY OF AGRICULTURE AND TECHNOLOGY TLO CO.,LTD. (JP) 2016-01-06 CN disclosed
WO-2015196086-A1 NOVEL INHIBITORS OF SYSTEM Xc(-) The University of Montana, Missoula, MT (US) 2015-12-23 WO disclosed
CN-102321092-B Triprenyl phenol compound, process for production of triprenyl phenol compound, and thrombolysis enhancer UNIV TOKYO AGRICULTURE & TECHNOLOGY TLO CO LTD (JP) 2015-01-14 CN disclosed
CN-102304131-B Triprenyl phenol compound and its preparing method, and thrombolysis enhancer NOKODAI TLO KK 2014-07-16 CN disclosed
CN-102304131-A Triprenyl phenol compound and thrombolysis enhancer NOKODAI TLO KK 2012-01-04 CN disclosed
US-7589170-B1 Synthesis of cyclic peptides THE UNIVERSITY OF QUEENSLAND (AU) 2009-09-15 US disclosed
US-7589170-B1 Synthesis of cyclic peptides THE UNIVERSITY OF QUEENSLAND (AU) 2009-09-15 US disclosed
CN-101346471-A Triprenyl phenol compound, process for producing triisoprenyl phenol compound, and thrombolysis promoter UNIV TOKYO AGRICULTURE & TECHNOLOGY TLO CO LTD (JP) 2009-01-14 CN disclosed
EP-1404864-A4 REGULATION OF NEURONAL FUNCTION THROUGH METABOTROPIC GLUTAMATE RECEPTOR SIGNALING PATHWAYS UNIV ROCKEFELLER (US) 2008-05-28 EP disclosed
EP-0843660-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1998-05-27 EP disclosed
EP-0842176-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1998-05-20 EP disclosed
US-5696148-A POTENT ANTAGONIST OF METABOTROPIC GLUTAMATE RECEPTORS; TREATING EPILEPSY, PARKINSON'S DISEASE, HUNTINGTON'S DISEASE, BRAIN DISORDER AND ALZHEIMER'S DISEASE NOVO NORDISK A/S (DK) 1997-12-09 US disclosed
WO-1997005109-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1997-02-13 WO disclosed
WO-1997005137-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1997-02-13 WO disclosed
EP-0750621-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1997-01-02 EP disclosed
US-5536721-A Thieno[2,3-b-indole derivatives and their use for treating central nervous system diseases related to the metabotropic glutamate receptor system NOVO NORDISK A/S (DK) 1996-07-16 US disclosed
WO-1996015099-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1996-05-23 WO disclosed
WO-1996015100-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1996-05-23 WO disclosed
WO-1995025110-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1995-09-21 WO disclosed