SCHEMBL12836026

SCHEMBL12836026

CCOc1ccc(-c2ccc(C3=CCC(c4ccc(O)c(F)c4F)CC3)c(F)c2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 7/20 0.35
▸ FGFR1 P11362 1/20 0.32
▸ FGFR2 P21802 1/20 0.32
▸ NAAA Q02083 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ GABRA1 P14867 2/20 0.31
▸ GABRB2 P47870 2/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ S1PR1 P21453 3/20 0.30
▸ PIN1 Q13526 1/20 0.30
▸ S1PR2 O95136 1/20 0.30
▸ S1PR4 O95977 1/20 0.30
▸ S1PR3 Q99500 1/20 0.30
▸ S1PR5 Q9H228 1/20 0.30

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
SCHEMBL15381664 0.94 FPR2 (0.36) FPR2FGFR1FGFR2NAAAESR1
SCHEMBL11933116 0.90 FPR2 (0.34) FPR2FGFR1FGFR2NAAA
SCHEMBL11939198 0.89 FPR2 (0.33) FPR2
SCHEMBL11939003 0.89 FPR2 (0.33) FPR2
SCHEMBL11939763 0.89 HSD17B1 (0.33) PIN1
SCHEMBL15381584 0.89 FPR2 (0.33) FPR2FGFR1FGFR2NAAAESR1
SCHEMBL15381682 0.87 FGFR2 (0.36) FPR2FGFR1FGFR2NAAAESR1
SCHEMBL10008126 0.87 FPR2 (0.33) FPR2FGFR1FGFR2NAAA
SCHEMBL15381512 0.86 NAAA (0.34) FPR2FGFR1FGFR2NAAAESR1
SCHEMBL11939201 0.86 FPR2 (0.33) FPR2PTGS1PTGS2

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
WO-2011033937-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2011-03-24 — — WO disclosed
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