SCHEMBL9000786

SCHEMBL9000786

COc1ccc(C(SCc2ccc(F)cc2)C(=O)Nc2c(SC)cc(C)nc2SC)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.38
▸ LMNA P02545 2/20 0.37
▸ MAPT P10636 5/20 0.37
▸ EPHX1 P07099 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TP53 P04637 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ ATM Q13315 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ L3MBTL1 Q9Y468 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
SCHEMBL9000787 0.91 LMNA (0.46) KMT2ALMNAMAPTEPHX1SMN1; SMN2
SCHEMBL9000745 0.90 EPHX1 (0.41) KMT2ALMNAMAPTEPHX1SMN1; SMN2
SCHEMBL9000458 0.90 EPHX1 (0.41) KMT2ALMNAMAPTEPHX1SMN1; SMN2
SCHEMBL9000878 0.90 EPHX1 (0.41) KMT2ALMNAMAPTEPHX1SMN1; SMN2
SCHEMBL9000671 0.86 EPHX1 (0.34) KMT2ALMNAMAPTEPHX1POLB
SCHEMBL9000497 0.86 EPHX1 (0.38) KMT2ALMNAMAPTEPHX1TP53
SCHEMBL9000445 0.86 POLB (0.43) KMT2ALMNAMAPTEPHX1POLB
SCHEMBL9000423 0.85 EPHX1 (0.44) KMT2ALMNAMAPTEPHX1SMN1; SMN2
SCHEMBL9000733 0.84 PDE2A (0.40) KMT2ALMNAMAPTEPHX1MEN1
SCHEMBL9000713 0.84 EPHX1 (0.43) KMT2ALMNAMAPTEPHX1POLB

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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