SCHEMBL3937950

SCHEMBL3937950

CSc1ccc(C(=O)CCc2cc(C)c([O])c(C)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HAO1 Q9UJM8 1/20 0.42
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ PLK1 P53350 1/20 0.39
▸ MMP2 P08253 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.36
▸ HPGD P15428 2/20 0.36
▸ BLM P54132 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ CTDSP1 Q9GZU7 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ TAS1R3 Q7RTX0 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
SCHEMBL1933960 0.80 S1PR1 (0.45) HAO1NPC1RAB9ATHRBPOLB
SCHEMBL1934701 0.79 PPARA (0.59) CYP1A2CYP2C9
SCHEMBL2032304 0.79 PDE4A (0.39) HAO1NPC1RAB9AKMT2ATSHR
SCHEMBL3865193 0.78 NPC1 (0.64) HAO1NPC1RAB9AHPGDL3MBTL1
SCHEMBL657144 0.75 NPC1 (0.55) HAO1NPC1RAB9AKMT2AL3MBTL1
SCHEMBL2027258 0.74 PPARA (0.35) HAO1NPC1RAB9ATHRBPOLB
SCHEMBL1934452 0.74 PPARA (0.44) HAO1NPC1RAB9AEPHX2NR1H4
SCHEMBL14962562 0.73 TP53 (0.55) NPC1RAB9ATP53THRBPOLB
SCHEMBL7196791 0.72 L3MBTL1 (0.55) HAO1NPC1RAB9APLK1MMP2
SCHEMBL6755453 0.72 HSD17B3 (0.62) HAO1PLK1MMP2MMP9MMP8

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046715-A1 SUBSTITUTED 1,3-DIPHENYLPROPANE DERIVATIVES, PREPARATIONS AND USES THEREOF Genfit (FR) 2009-04-15 — — EP claimed
WO-2007147879-A1 SUBSTITUTED 1,3-DIPHENYLPROPANE DERIVATIVES, PREPARATIONS AND USES THEREOF GENFIT (FR) 2007-12-27 — — WO claimed
EP-2046715-A1 SUBSTITUTED 1,3-DIPHENYLPROPANE DERIVATIVES, PREPARATIONS AND USES THEREOF Genfit (FR) 2009-04-15 — — EP disclosed
WO-2007147879-A1 SUBSTITUTED 1,3-DIPHENYLPROPANE DERIVATIVES, PREPARATIONS AND USES THEREOF GENFIT (FR) 2007-12-27 — — WO disclosed
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