SCHEMBL9000588

SCHEMBL9000588

CSc1cc(C)nc(SC)c1NC(=O)C(SCc1ccccc1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 2/20 0.38
▸ SOAT1 P35610 5/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ GRM5 P41594 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ACACB O00763 1/20 0.34
▸ ACACA Q13085 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
SCHEMBL9000608 0.94 FNTA (0.37) EPHX1SOAT1L3MBTL1GRM5LMNA
SCHEMBL9000673 0.93 SOAT1 (0.37) EPHX1SOAT1GRM5
SCHEMBL9000398 0.93 EPHX1 (0.47) EPHX1SOAT1L3MBTL1LMNA
SCHEMBL9000651 0.92 SOAT1 (0.41) EPHX1SOAT1ALDH1A1CYP1A2CYP3A4
SCHEMBL9000460 0.90 EPHX1 (0.37) EPHX1SOAT1GRM5ALDH1A1
SCHEMBL9000575 0.90 SOAT1 (0.39) SOAT1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL9000506 0.90 SOAT1 (0.39) SOAT1L3MBTL1ALDH1A1LMNA
SCHEMBL9000714 0.90 GPR88 (0.39) EPHX1SOAT1L3MBTL1ALDH1A1CYP2C19
SCHEMBL9000445 0.89 POLB (0.43) EPHX1SOAT1ALDH1A1LMNA
SCHEMBL9000753 0.89 SOAT1 (0.39) EPHX1SOAT1ALDH1A1LMNA

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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