SCHEMBL9000962

SCHEMBL9000962

CCCCCCSC(C(=O)Nc1c(SC)cc(C)nc1SC)c1ccc(OC)cc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SOAT1 P35610 6/20 0.43
▸ SOAT2 O75908 1/20 0.43
▸ ACAT1 P24752 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ PRNP P04156 1/20 0.35
▸ THRB P10828 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
SCHEMBL9000890 0.93 SOAT1 (0.43) SOAT1SOAT2ACAT1LMNATHRB
SCHEMBL9000771 0.91 SOAT1 (0.47) SOAT1SOAT2ACAT1
SCHEMBL9000680 0.90 SOAT1 (0.45) SOAT1SOAT2ACAT1LMNA
SCHEMBL9000747 0.90 SOAT1 (0.40) SOAT1SOAT2ACAT1
SCHEMBL9000769 0.89 SOAT1 (0.44) SOAT1SOAT2ACAT1LMNA
SCHEMBL9000790 0.89 SOAT1 (0.44) SOAT1SOAT2ACAT1LMNA
SCHEMBL9000516 0.89 SOAT1 (0.55) SOAT1SOAT2ACAT1ALDH1A1CYP1A2
SCHEMBL9000915 0.88 SOAT1 (0.44) SOAT1SOAT2ACAT1
SCHEMBL9000916 0.88 SOAT1 (0.49) SOAT1SOAT2ACAT1
SCHEMBL9000779 0.88 SOAT1 (0.43) SOAT1SOAT2ACAT1ALDH1A1

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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