SCHEMBL27993181

SCHEMBL27993181

COc1ccc(-c2ccc(-c3c(F)c(F)nc(F)c3F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP3 O14638 2/20 0.46
▸ ESR2 Q92731 1/20 0.45
▸ TP53 P04637 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ PTGS2 P35354 3/20 0.42
▸ ENPP1 P22413 1/20 0.41
▸ HEXA P06865 1/20 0.41
▸ HEXB P07686 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CASP3 P42574 1/20 0.41

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
SCHEMBL4153688 0.81 CA1 (0.52) ESR2TP53NPC1RAB9ACA12
SCHEMBL21562893 0.75 ALDH1A1 (0.41) KDM4EMAPTNPC1RAB9AMAPK1
SCHEMBL4164181 0.75 ACHE (0.40) ENPP3KDM4EMAPTNPC1RAB9A
SCHEMBL20277139 0.74 CA12 (0.48) ESR2TP53KDM4EMAPTNPC1
SCHEMBL20323072 0.73 CA1 (0.69) ESR2TP53KDM4EMAPTNPC1
SCHEMBL9151672 0.73 CA1 (0.79) ESR2TP53KDM4EMAPTNPC1
SCHEMBL197522 0.73 CA1 (0.79) ESR2TP53KDM4EMAPTNPC1
SCHEMBL6733562 0.73 CA1 (0.79) ESR2TP53KDM4EMAPTNPC1
SCHEMBL16109786 0.72 CA12 (0.46) ESR2TP53NPC1RAB9ACA12
SCHEMBL3607576 0.72 NPC1 (0.64) ESR2TP53NPC1RAB9ACA12

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
CN-104262119-A Method for synthesizing asymmetric terphenyl compound UNIV SHIHEZI 2015-01-07 — — CN disclosed
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