SCHEMBL9000604

SCHEMBL9000604

CSc1cc(C)nc(SC)c1NC(=O)C(SCc1ccccc1)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 4/20 0.47
▸ SOAT1 P35610 6/20 0.38
▸ POLB P06746 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ TRPV1 Q8NER1 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
SCHEMBL9000888 0.95 EPHX1 (0.44) EPHX1SOAT1SCN9A
SCHEMBL9000677 0.92 EPHX1 (0.42) EPHX1SOAT1MAPT
SCHEMBL9000651 0.92 SOAT1 (0.41) EPHX1SOAT1POLBALDH1A1CYP1A2
SCHEMBL9000701 0.91 EPHX1 (0.41) EPHX1SOAT1POLBMEN1CYP1A2
SCHEMBL9000575 0.90 SOAT1 (0.39) SOAT1ALDH1A1KDM4EMEN1CYP1A2
SCHEMBL9000506 0.90 SOAT1 (0.39) SOAT1POLBALDH1A1
SCHEMBL9000753 0.89 SOAT1 (0.39) EPHX1SOAT1POLBALDH1A1MEN1
SCHEMBL9000445 0.89 POLB (0.43) EPHX1SOAT1POLBALDH1A1MEN1
SCHEMBL9000588 0.87 EPHX1 (0.38) EPHX1SOAT1ALDH1A1CYP1A2CYP3A4
SCHEMBL9000398 0.87 EPHX1 (0.47) EPHX1SOAT1KDM4EMEN1MAPT

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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