SCHEMBL13264329

SCHEMBL13264329

C=Cc1ccc(-c2ccc(-c3ccc(-c4ccc(OCC)c(F)c4F)cc3)cc2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.40
▸ FGFR2 P21802 2/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ PKM P14618 1/20 0.36
▸ PTPRC P08575 1/20 0.35
▸ GABRA1 P14867 2/20 0.34
▸ GABRB2 P47870 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ TNFRSF1A P19438 1/20 0.34
▸ PTGS2 P35354 2/20 0.33
▸ NAAA Q02083 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL18509967 0.92 FGFR2 (0.39) TUBB1FGFR2FGFR1PKMPTPRC
SCHEMBL10302526 0.87 PKM (0.39) TUBB1FGFR2FGFR1PKMKDM4E
SCHEMBL10302272 0.87 TACR2 (0.41) TUBB1FGFR2FGFR1PKMGABRA1
SCHEMBL10301764 0.87 TUBB1 (0.42) TUBB1FGFR2FGFR1PTPRCGABRA1
SCHEMBL8932743 0.85 ALDH1A1 (0.48) TUBB1FGFR2FGFR1PTPRCKDM4E
SCHEMBL12739567 0.85 TUBB1 (0.50) TUBB1FGFR2FGFR1KDM4EKMT2A
SCHEMBL10301995 0.85 GABRA1 (0.37) TUBB1FGFR2FGFR1PKMGABRA1
SCHEMBL12907042 0.84 TUBB1 (0.46) TUBB1FGFR2FGFR1PKMPTPRC
SCHEMBL10302801 0.84 TUBB1 (0.35) TUBB1FGFR2FGFR1PTPRCGABRA1
SCHEMBL12736528 0.82 TACR2 (0.40) TUBB1PKMGABRA1GABRB2KDM4E

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-2010082558-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2010-07-22 — — WO disclosed
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