SCHEMBL2505997

SCHEMBL2505997

CCCCOC(=O)[C@@H](N)CC(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
SLC7A5 Q01650 1/20 0.47
ATM Q13315 1/20 0.44
TSHR P16473 3/20 0.41
HPGD P15428 2/20 0.41
HCAR2 Q8TDS4 1/20 0.39
NOD1 Q9Y239 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PDE4D Q08499 1/20 0.39
NAAA Q02083 1/20 0.38
SLC1A2 P43004 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
SLC1A3 P43003 2/20 0.38
SLC1A1 P43005 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
RAB9A P51151 2/20 0.38

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
SCHEMBL8964483 1.00 ALDH1A1 (0.47) ALDH1A1SLC7A5ATMTSHRHPGD
SCHEMBL8435788 1.00 ALDH1A1 (0.47) ALDH1A1SLC7A5ATMTSHRHPGD
Hydrochloric Acid SCHEMBL7394658 0.98 ALDH1A1 (0.45) ALDH1A1SLC7A5ATMTSHRHPGD
Hydrochloric Acid SCHEMBL2505994 0.98 ALDH1A1 (0.45) ALDH1A1SLC7A5ATMTSHRHPGD
SCHEMBL20509278 0.94 NAAA (0.46) ALDH1A1SLC7A5TSHRHCAR2NOD1
SCHEMBL8230649 0.94 NAAA (0.46) ALDH1A1SLC7A5TSHRHCAR2NOD1
Hydrochloric Acid SCHEMBL23510791 0.93 NAAA (0.44) ALDH1A1SLC7A5TSHRHCAR2NOD1
SCHEMBL1479595 0.93 NAAA (0.48) ALDH1A1SLC7A5TSHRHCAR2NOD1
SCHEMBL7775084 0.93 NAAA (0.48) ALDH1A1SLC7A5TSHRHCAR2NOD1
SCHEMBL10346980 0.93 NAAA (0.48) ALDH1A1SLC7A5TSHRHCAR2NOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101601634-B Infant anus skin care solution ZHANG JIEYU 2012-07-18 CN claimed
CN-101601634-A Infant anus skin care solution YULIN ZHANG (CN) 2009-12-16 CN claimed
US-12129277-B2 Linear solution phase routes for WNT hexapeptides WNTRESEARCH AB (SE) 2024-10-29 US disclosed
EP-4446310-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND Asahi Kasei Kabushiki Kaisha (JP) 2024-10-16 EP disclosed
CN-118382612-A Method for producing blocked isocyanate compound and method for producing isocyanate compound 旭化成株式会社 2024-07-23 CN disclosed
US-11912791-B2 Solution phase routes for Wnt hexapeptides WNTRESEARCH AB (SE) 2024-02-27 US disclosed
WO-2023106377-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND 旭化成株式会社 2023-06-15 WO disclosed
EP-3894426-B1 LINEAR SOLUTION PHASE ROUTES FOR WNT HEXAPEPTIDES WNTRESEARCH AB (SE) 2022-09-21 EP disclosed
EP-2691409-B1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS IDENIX PHARMACEUTICALS LLC (US) 2018-02-21 EP disclosed
EP-2552203-B1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS IDENIX PHARMACEUTICALS LLC (US) 2017-03-22 EP disclosed
US-9243025-B2 Compounds and pharmaceutical compositions for the treatment of viral infections IDENIX PHARMACEUTICALS, LLC (US) 2016-01-26 US disclosed
CN-1085546-A Aminediol protease inhibitors SQUIBB & SONS INC (US) 1994-04-20 CN disclosed
CN-1085223-A The 17-beta substitution-4-azepine-5 α-androstane-3-one derivative ERBA CARLO SPA (IT) 1994-04-13 CN disclosed
EP-0532664-A4 SUPPORTED CHIRAL LIQUID MEMBRANE FOR THE SEPARATION OF ENANTIOMERS 1993-03-31 EP disclosed
EP-0532664-A1 SUPPORTED CHIRAL LIQUID MEMBRANE FOR THE SEPARATION OF ENANTIOMERS. RES CORP TECHNOLOGIES INC (US) 1993-03-24 EP disclosed
WO-1991017816-A1 SUPPORTED CHIRAL LIQUID MEMBRANE FOR THE SEPARATION OF ENANTIOMERS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1991-11-28 WO disclosed
EP-0241094-B1 PROCESS FOR THE SEPARATION OF L-LEUCINE AND L-ISOLEUCINE PFW (NEDERLAND) B.V. (NL) 1990-07-25 EP disclosed
US-4731476-A Process for the separation of L-leucine and L-isoleucine POLAK'S FRUTAL WORKS B.V. (NL) 1988-03-15 US disclosed
EP-0241094-A1 Process for the separation of L-leucine and L-isoleucine PFW (NEDERLAND) B.V. (NL) 1987-10-14 EP disclosed
US-4565643-A PROTEIN CONTAINING AMINO ACID ESTER KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1986-01-21 US disclosed