SCHEMBL9000692

SCHEMBL9000692

CCCCCCSC(C(=O)Nc1c(SC)cc(C)nc1SC)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SOAT1 P35610 6/20 0.46
▸ SOAT2 O75908 1/20 0.46
▸ ACAT1 P24752 1/20 0.46
▸ CYSLTR2 Q9NS75 3/20 0.37
▸ CYSLTR1 Q9Y271 3/20 0.37
▸ CETP P11597 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
SCHEMBL9000727 0.94 SOAT1 (0.40) SOAT1SOAT2ACAT1CYSLTR2CYSLTR1
SCHEMBL9000771 0.93 SOAT1 (0.47) SOAT1SOAT2ACAT1
SCHEMBL9000516 0.91 SOAT1 (0.55) SOAT1SOAT2ACAT1
SCHEMBL9000658 0.87 SOAT1 (0.40) SOAT1SOAT2ACAT1CYSLTR2CYSLTR1
SCHEMBL9000698 0.87 PSEN1 (0.40) SOAT1CYSLTR2CYSLTR1
SCHEMBL9000673 0.86 SOAT1 (0.37) SOAT1
SCHEMBL9000916 0.85 SOAT1 (0.49) SOAT1SOAT2ACAT1
SCHEMBL9000962 0.84 SOAT1 (0.43) SOAT1SOAT2ACAT1
SCHEMBL9000890 0.84 SOAT1 (0.43) SOAT1SOAT2ACAT1
SCHEMBL9000613 0.83 LMNA (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-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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