SCHEMBL9000458

SCHEMBL9000458

COc1ccc(CSC(C(=O)Nc2c(SC)cc(C)nc2SC)c2ccc(F)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 2/20 0.41
▸ ABCB1 P08183 1/20 0.39
▸ GSK3B P49841 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ LMNA P02545 3/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MMP13 P45452 1/20 0.36
▸ KLK7 P49862 3/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ FFAR1 O14842 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CRHBP P24387 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
SCHEMBL9000878 1.00 EPHX1 (0.41) EPHX1ABCB1GSK3BMAPK14LMNA
SCHEMBL9000423 0.95 EPHX1 (0.44) EPHX1LMNAMAPTSMN1; SMN2MMP13
SCHEMBL9000745 0.94 EPHX1 (0.41) EPHX1ABCB1MAPK14LMNAGAA
SCHEMBL9000768 0.91 EPHX1 (0.41) EPHX1LMNAABL1SRCMAPT
SCHEMBL9000398 0.91 EPHX1 (0.47) EPHX1LMNAMAPTSMN1; SMN2L3MBTL1
SCHEMBL9000786 0.90 KMT2A (0.38) EPHX1LMNAMAPTSMN1; SMN2L3MBTL1
SCHEMBL9000898 0.90 EPHX1 (0.46) EPHX1MAPTL3MBTL1CYP3A4KMT2A
SCHEMBL9000862 0.90 POLB (0.37) EPHX1ABCB1LMNAABL1SRC
SCHEMBL9000497 0.89 EPHX1 (0.38) EPHX1ABCB1MAPK14LMNAABL1
SCHEMBL9000445 0.89 POLB (0.43) EPHX1ABCB1GSK3BMAPK14LMNA

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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