SCHEMBL15722992

SCHEMBL15722992

C/C=C/Oc1ccc(CCc2ccc(CCCC)cc2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.33
THRB P10828 2/20 0.33
CA2 P00918 2/20 0.33
CA1 P00915 1/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
GPR84 Q9NQS5 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
ESR1 P03372 2/20 0.31
ADRA2A P08913 2/20 0.31
ADORA3 P0DMS8 2/20 0.31

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
SCHEMBL15722993 0.96 THRB (0.38) THRATHRBALDH1A1HSD17B10CYP3A4
SCHEMBL15723185 0.92 RARB (0.38) THRATHRBALDH1A1HPGDHSD17B10
SCHEMBL15723106 0.92 RARB (0.38) THRATHRBALDH1A1HPGDHSD17B10
SCHEMBL15722990 0.92 CTSL (0.35) THRBCTSLCTSSCTSK
SCHEMBL15722991 0.89 FFAR4 (0.35) CTSLCTSSCTSKFFAR4
SCHEMBL15723184 0.86 SPHK1 (0.47) THRATHRBFFAR4
SCHEMBL15722989 0.86 CYP1A2 (0.33)
SCHEMBL15722998 0.86 CTSL (0.41) CTSLCTSSCTSK
SCHEMBL15723096 0.85 FFAR4 (0.34) FFAR4
SCHEMBL15722962 0.85 CTSS (0.42) CTSLCTSSCTSK

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
US-9193907-B2 Liquid crystal compound having vinyloxy, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2015-11-24 US disclosed
US-9193907-B2 Liquid crystal compound having vinyloxy, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2015-11-24 US disclosed
US-20140138582-A1 LIQUID CRYSTAL COMPOUND HAVING VINYLOXY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-05-22 US disclosed
US-20140138582-A1 LIQUID CRYSTAL COMPOUND HAVING VINYLOXY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-05-22 US disclosed