SCHEMBL16651253

SCHEMBL16651253

CCOc1ccc(-c2ccc(CCO)cc2)c(F)c1F

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.49
S1PR3 Q99500 3/20 0.49
FFAR4 Q5NUL3 3/20 0.44
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
AGPAT2 O15120 1/20 0.39
FGFR2 P21802 2/20 0.38
FGFR1 P11362 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
CA2 P00918 1/20 0.36
GABRA1 P14867 4/20 0.36
GABRB2 P47870 4/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.35
MDM2 Q00987 1/20 0.35
FFAR1 O14842 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
SCHEMBL11895009 0.91 FFAR4 (0.42) S1PR1S1PR3FFAR4CYP4F2CYP4A11
SCHEMBL3437380 0.89 GABRA1 (0.42) S1PR1S1PR3FFAR4FGFR2FGFR1
SCHEMBL29873595 0.89 GABRA1 (0.42) S1PR1S1PR3FFAR4FGFR2FGFR1
SCHEMBL3437385 0.88 GABRA1 (0.41) S1PR1S1PR3FFAR4FGFR2FGFR1
SCHEMBL21609905 0.88 GABRA1 (0.41) S1PR1S1PR3FFAR4FGFR2FGFR1
SCHEMBL17946123 0.88 GABRA1 (0.41) S1PR1S1PR3FFAR4FGFR2FGFR1
SCHEMBL16651387 0.88 FFAR4 (0.41) S1PR1S1PR3FFAR4FGFR2FGFR1
SCHEMBL9563716 0.88 GABRA1 (0.41) S1PR1S1PR3FFAR4FGFR2FGFR1
SCHEMBL9486846 0.88 FFAR4 (0.41) S1PR1S1PR3FFAR4FGFR2FGFR1
SCHEMBL424596 0.87 S1PR1 (0.47) S1PR1S1PR3FFAR4AGPAT2FGFR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10030198-B2 Liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2018-07-24 US disclosed
US-10030198-B2 Liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2018-07-24 US disclosed
US-10030198-B2 Liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2018-07-24 US disclosed
US-20150108402-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2015-04-23 US disclosed
US-20150108402-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2015-04-23 US disclosed
US-20150108402-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2015-04-23 US disclosed