SCHEMBL9000409

SCHEMBL9000409

COc1ccc(C(Cc2ccccc2)C(=O)Nc2c(SC)cc(C)nc2SC)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.40
▸ SOAT1 P35610 3/20 0.40
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ IGF1R P08069 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ FPR2 P25090 1/20 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
SCHEMBL9000599 0.93 SOAT1 (0.40) SOAT1
SCHEMBL9000513 0.89 SOAT1 (0.41) SOAT1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL9000798 0.89 QPCT (0.49) SOAT1MAPTKMT2AMEN1RAB9A
SCHEMBL9000758 0.89 SOAT1 (0.41) SOAT1MAPTKMT2ACNR2MEN1
SCHEMBL9000450 0.89 SOAT1 (0.41) TRPV1SOAT1MAPTKMT2AMEN1
SCHEMBL9000612 0.88 GCGR (0.44) SOAT1MAPT
SCHEMBL9000864 0.85 ALDH1A1 (0.49) MAPTKMT2ACNR2IGF1RMEN1
SCHEMBL9000398 0.85 EPHX1 (0.47) SOAT1MAPTKMT2ACNR2IGF1R
SCHEMBL9000825 0.85 GLI1 (0.39) SOAT1KMT2AMEN1
SCHEMBL9000846 0.85 SOAT1 (0.40) SOAT1MAPTKMT2AMEN1FPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5583147-A INHIBITORS OF ACYL-COENZYME A: CHOLESTEROL O-TRANSFERASE; ANTIHYPERCHOLESTEROLEMIC AND/OR ANTIATHEROSCLEROTIC AGENTS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-10 — — US disclosed
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