SCHEMBL9000910

SCHEMBL9000910

CCCCCCSC(C(=O)Nc1c(SC)cc(C)nc1SC)c1ccc2c(c1)OCO2

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SOAT1 P35610 6/20 0.39
▸ SOAT2 O75908 1/20 0.39
▸ ACAT1 P24752 1/20 0.39
▸ EDNRA P25101 2/20 0.36
▸ EDNRB P24530 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL9000680 0.85 SOAT1 (0.45) SOAT1SOAT2ACAT1SMN1; SMN2NPC1
SCHEMBL9000818 0.84 SOAT1 (0.41) SOAT1SOAT2ACAT1
SCHEMBL9000790 0.84 SOAT1 (0.44) SOAT1SOAT2ACAT1GAAKMT2A
SCHEMBL9000769 0.84 SOAT1 (0.44) SOAT1SOAT2ACAT1SMN1; SMN2KMT2A
SCHEMBL9000516 0.84 SOAT1 (0.55) SOAT1SOAT2ACAT1SMN1; SMN2
SCHEMBL9000915 0.84 SOAT1 (0.44) SOAT1SOAT2ACAT1RAB9A
SCHEMBL9000747 0.83 SOAT1 (0.40) SOAT1SOAT2ACAT1GAAL3MBTL1
SCHEMBL9000779 0.83 SOAT1 (0.43) SOAT1SOAT2ACAT1SMN1; SMN2KMT2A
SCHEMBL9000916 0.83 SOAT1 (0.49) SOAT1SOAT2ACAT1
SCHEMBL9000962 0.83 SOAT1 (0.43) SOAT1SOAT2ACAT1

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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