SCHEMBL9000673

SCHEMBL9000673

CSc1cc(C)nc(SC)c1NC(=O)C(SCc1ccccc1)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SOAT1 P35610 5/20 0.37
▸ PTGS1 P23219 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GLI1 P08151 1/20 0.36
▸ GLI2 P10070 1/20 0.36
▸ GRM5 P41594 1/20 0.35
▸ EPHX1 P07099 1/20 0.35
▸ GCK P35557 1/20 0.34

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
SCHEMBL9000460 0.95 EPHX1 (0.37) SOAT1GRM5EPHX1
SCHEMBL9000613 0.94 LMNA (0.36) SOAT1MEN1CYP2D6KMT2AGLI1
SCHEMBL9000588 0.93 EPHX1 (0.38) SOAT1GRM5EPHX1
SCHEMBL9000651 0.90 SOAT1 (0.41) SOAT1EPHX1
SCHEMBL9000579 0.88 KMT2A (0.35) SOAT1MEN1KMT2AEPHX1
SCHEMBL9000608 0.87 FNTA (0.37) SOAT1KMT2AGRM5EPHX1
SCHEMBL9000692 0.86 SOAT1 (0.46) SOAT1
SCHEMBL9000825 0.86 GLI1 (0.39) SOAT1PTGS1MEN1CYP2D6KMT2A
SCHEMBL9000398 0.86 EPHX1 (0.47) SOAT1MEN1KMT2AEPHX1
SCHEMBL9000575 0.84 SOAT1 (0.39) SOAT1MEN1KMT2A

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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