SCHEMBL7429797

SCHEMBL7429797

COc1ccc(CC(CSC(C)=O)C(=O)Nc2cccc(C(=O)O)c2)cc1.[NaH]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MITF O75030 1/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
HSD17B10 Q99714 1/20 0.48
POLB P06746 1/20 0.47
GAA P10253 2/20 0.46
MAPK1 P28482 1/20 0.44
STAT3 P40763 1/20 0.44
STAT1 P42224 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL7431596 0.99 NPC1 (0.49) PPARANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7429796 0.89 SMN1; SMN2 (0.49) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL392082 0.88 ALDH1A1 (0.52) PPARANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7432011 0.88 ALDH1A1 (0.45) PPARASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL7431904 0.88 NR1H4 (0.48) PPARANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7432902 0.87 ALDH1A1 (0.46) PPARASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL7431217 0.86 KCNK3 (0.46) PPARANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7435388 0.85 NPC1 (0.52) PPARANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7433519 0.84 NPC1 (0.53) PPARANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL27537189 0.81 RAB9A (0.56) PPARANPC1RAB9ASMN1; SMN2MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5210266-A Analgesic enkephalinase inhibitors DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1993-05-11 US disclosed
US-5179125-A Analgesics DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1993-01-12 US disclosed
EP-0318859-A2 N-substituted mercaptopropanamide derivatives Dainippon Pharmaceutical Co., Ltd. (JP) 1989-06-07 EP disclosed