SCHEMBL9000608

SCHEMBL9000608

CSc1cc(C)nc(SC)c1NC(=O)C(SCc1ccc(Cl)cc1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 2/20 0.37
▸ FNTB P49356 2/20 0.37
▸ NPY5R Q15761 1/20 0.37
▸ EPHX1 P07099 1/20 0.37
▸ LMNA P02545 3/20 0.37
▸ HPGD P15428 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ PPARG P37231 3/20 0.36
▸ PPARA Q07869 3/20 0.36
▸ SOAT1 P35610 2/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ UTS2R Q9UKP6 2/20 0.35
▸ P2RX3 P56373 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ EGLN2 Q96KS0 1/20 0.35
▸ EGLN1 Q9GZT9 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
SCHEMBL9000588 0.94 EPHX1 (0.38) EPHX1LMNAL3MBTL1SOAT1GRM5
SCHEMBL9000613 0.94 LMNA (0.36) FNTAFNTBNPY5REPHX1LMNA
SCHEMBL9000753 0.92 SOAT1 (0.39) EPHX1LMNANPSR1SOAT1KMT2A
SCHEMBL9000777 0.91 KMT2A (0.37) LMNASOAT1KMT2A
SCHEMBL9000768 0.91 EPHX1 (0.41) FNTAFNTBEPHX1LMNAL3MBTL1
SCHEMBL9000579 0.89 KMT2A (0.35) FNTAFNTBNPY5REPHX1LMNA
SCHEMBL9000831 0.89 TOP2A (0.37) LMNANPSR1SOAT1KMT2A
SCHEMBL9000673 0.87 SOAT1 (0.37) EPHX1SOAT1KMT2AGRM5
SCHEMBL9000398 0.87 EPHX1 (0.47) EPHX1LMNAL3MBTL1SOAT1KMT2A
SCHEMBL9000497 0.87 EPHX1 (0.38) EPHX1LMNASOAT1KMT2A

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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