SCHEMBL9000818

SCHEMBL9000818

CCCCCCSC(C(=O)Nc1c(SC)cc(C)nc1SC)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SOAT1 P35610 7/20 0.41
▸ SOAT2 O75908 1/20 0.41
▸ ACAT1 P24752 1/20 0.41
▸ CYP3A4 P08684 2/20 0.31
▸ CYP2D6 P10635 2/20 0.31
▸ SLC6A2 P23975 2/20 0.31
▸ SLC6A4 P31645 2/20 0.31
▸ SLC6A3 Q01959 2/20 0.31
▸ KCNH2 Q12809 2/20 0.31
▸ GPR84 Q9NQS5 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ PTGES O14684 1/20 0.30
▸ ALOX5 P09917 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
SCHEMBL9000769 0.91 SOAT1 (0.44) SOAT1SOAT2ACAT1GPR84POLB
SCHEMBL9000680 0.90 SOAT1 (0.45) SOAT1SOAT2ACAT1GPR84HPGD
SCHEMBL9000790 0.87 SOAT1 (0.44) SOAT1SOAT2ACAT1
SCHEMBL9000516 0.87 SOAT1 (0.55) SOAT1SOAT2ACAT1CYP3A4
SCHEMBL9000915 0.86 SOAT1 (0.44) SOAT1SOAT2ACAT1
SCHEMBL9000747 0.86 SOAT1 (0.40) SOAT1SOAT2ACAT1
SCHEMBL9000779 0.86 SOAT1 (0.43) SOAT1SOAT2ACAT1GPR84
SCHEMBL9000916 0.86 SOAT1 (0.49) SOAT1SOAT2ACAT1
SCHEMBL9000890 0.86 SOAT1 (0.43) SOAT1SOAT2ACAT1POLB
SCHEMBL9000962 0.86 SOAT1 (0.43) SOAT1SOAT2ACAT1CYP3A4

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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