SCHEMBL9000398

SCHEMBL9000398

COc1ccc(C(SCc2ccccc2)C(=O)Nc2c(SC)cc(C)nc2SC)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MAPT P10636 2/20 0.40
▸ SOAT1 P35610 5/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ MIF P14174 1/20 0.37
▸ IGF1R P08069 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL9000423 0.95 EPHX1 (0.44) EPHX1L3MBTL1MAPTSOAT1KDM4E
SCHEMBL9000898 0.95 EPHX1 (0.46) EPHX1L3MBTL1MAPTSOAT1KDM4E
SCHEMBL9000588 0.93 EPHX1 (0.38) EPHX1L3MBTL1SOAT1LMNA
SCHEMBL9000651 0.92 SOAT1 (0.41) EPHX1SOAT1SMN1; SMN2
SCHEMBL9000878 0.91 EPHX1 (0.41) EPHX1L3MBTL1MAPTLMNAMEN1
SCHEMBL9000458 0.91 EPHX1 (0.41) EPHX1L3MBTL1MAPTLMNAMEN1
SCHEMBL9000768 0.91 EPHX1 (0.41) EPHX1L3MBTL1MAPTCNR2LMNA
SCHEMBL9000506 0.90 SOAT1 (0.39) L3MBTL1SOAT1LMNARAB9ASMN1; SMN2
SCHEMBL9000575 0.90 SOAT1 (0.39) MAPTSOAT1KDM4EMEN1PKM
SCHEMBL9000714 0.90 GPR88 (0.39) EPHX1L3MBTL1MAPTSOAT1LMNA

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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