SCHEMBL9000790

SCHEMBL9000790

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

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SOAT1 P35610 7/20 0.44
▸ SOAT2 O75908 1/20 0.44
▸ ACAT1 P24752 1/20 0.44
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 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 0.92 SOAT1 (0.45) SOAT1SOAT2ACAT1LMNA
SCHEMBL9000769 0.91 SOAT1 (0.44) SOAT1SOAT2ACAT1MEN1LMNA
SCHEMBL9000516 0.91 SOAT1 (0.55) SOAT1SOAT2ACAT1
SCHEMBL9000749 0.90 SOAT1 (0.42) SOAT1SOAT2ACAT1MAPT
SCHEMBL9000915 0.90 SOAT1 (0.44) SOAT1SOAT2ACAT1
SCHEMBL9000779 0.89 SOAT1 (0.43) SOAT1SOAT2ACAT1MEN1MAPT
SCHEMBL9000809 0.89 SOAT1 (0.37) SOAT1SOAT2ACAT1
SCHEMBL9000962 0.89 SOAT1 (0.43) SOAT1SOAT2ACAT1LMNA
SCHEMBL9000916 0.89 SOAT1 (0.49) SOAT1SOAT2ACAT1
SCHEMBL9000890 0.89 SOAT1 (0.43) SOAT1SOAT2ACAT1LMNAMAPT

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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