SCHEMBL8955358

SCHEMBL8955358

C=CC1OCC(c2ccc(-c3ccc(-c4ccc(OCCCC)c(F)c4F)cc3)cc2F)CO1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.33
FPR2 P25090 4/20 0.33
S1PR1 P21453 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
RARA P10276 1/20 0.31
RARB P10826 1/20 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
SCHEMBL8955359 0.97 FPR2 (0.35) CNR2CNR1FPR2S1PR1GABRA1
SCHEMBL8955373 0.96 FPR2 (0.35) CNR2CNR1FPR2S1PR1GABRA1
SCHEMBL8955398 0.96 FPR2 (0.35) CNR2CNR1FPR2S1PR1GABRA1
SCHEMBL8955426 0.96 FPR2 (0.35) CNR2CNR1FPR2S1PR1GABRA1
SCHEMBL8955455 0.96 FPR2 (0.35) CNR2CNR1FPR2S1PR1GABRA1
SCHEMBL8955338 0.95 FPR2 (0.36) FPR2GABRA1GABRB2
SCHEMBL8955349 0.92 FPR2 (0.35) FPR2GABRA1GABRB2
SCHEMBL8957514 0.91 CNR2 (0.36) CNR2CNR1FPR2GABRA1GABRB2
SCHEMBL8955914 0.90 FPR2 (0.32) FPR2S1PR1RARARARB
SCHEMBL8956389 0.89 CNR2 (0.33) CNR2CNR1FPR2S1PR1GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206695-B1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2013-09-18 EP disclosed
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed