SCHEMBL9008115

SCHEMBL9008115

CSc1cc(C)nc(SC)c1NC(=O)C1SC(C)CCC1C

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SOAT1 P35610 6/20 0.39
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL9008215 0.76 SOAT1 (0.41) SOAT1
SCHEMBL9008269 0.76 SOAT1 (0.39) SOAT1
SCHEMBL9008076 0.74 SOAT1 (0.36) SOAT1
SCHEMBL13716589 0.74 SOAT1 (0.37) SOAT1CYP1A2
SCHEMBL9008152 0.74 SOAT1 (0.36) SOAT1
SCHEMBL9008090 0.73 SOAT1 (0.35) SOAT1
SCHEMBL9008067 0.73 SOAT1 (0.35) SOAT1
SCHEMBL9008139 0.73 SOAT1 (0.35) SOAT1
SCHEMBL32667998 0.73 CYP1A2 (0.50) SOAT1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL13716530 0.72 SOAT1 (0.36) SOAT1

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-5491152-A Derivatives of cyclic ethers and sulfides for the treatment of atherosclerosis THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-02-13 — — US disclosed
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