SCHEMBL9000599

SCHEMBL9000599

CSc1cc(C)nc(SC)c1NC(=O)C(Cc1ccccc1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SOAT1 P35610 5/20 0.40
▸ NPY5R Q15761 4/20 0.39
▸ GRM5 P41594 1/20 0.37
▸ PPARG P37231 2/20 0.36
▸ PPARA Q07869 2/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL9000825 0.93 GLI1 (0.39) SOAT1NPY5RGRM5
SCHEMBL9000409 0.93 TRPV1 (0.40) SOAT1
SCHEMBL9000513 0.89 SOAT1 (0.41) SOAT1HDAC3HDAC4HDAC1HDAC8
SCHEMBL9000758 0.89 SOAT1 (0.41) SOAT1HDAC3HDAC4HDAC1HDAC8
SCHEMBL9000450 0.89 SOAT1 (0.41) SOAT1HDAC3HDAC4HDAC1HDAC8
SCHEMBL9000612 0.88 GCGR (0.44) SOAT1HDAC3HDAC4HDAC1HDAC8
SCHEMBL9000778 0.85 PPARG (0.40) SOAT1GRM5PPARGPPARA
SCHEMBL9000588 0.85 EPHX1 (0.38) SOAT1GRM5LMNA
SCHEMBL9000798 0.85 QPCT (0.49) SOAT1LMNA
SCHEMBL9000846 0.85 SOAT1 (0.40) SOAT1PPARGPPARAHDAC3HDAC4

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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