SCHEMBL8941564

SCHEMBL8941564

C=CC1CCC(c2ccc(-c3ccc(-c4ccc(OCC)c(F)c4F)cc3)cc2F)OC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.33
NAAA Q02083 1/20 0.32
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
BRD4 O60885 1/20 0.30
GABRA1 P14867 2/20 0.30
GABRB2 P47870 2/20 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
SCHEMBL18718322 0.96 FPR2 (0.35) FPR2NAAAFGFR1FGFR2L3MBTL1
SCHEMBL8941733 0.94 GABRA1 (0.36) FPR2BRD4GABRA1GABRB2
SCHEMBL8941341 0.94 CNR2 (0.34) GABRA1GABRB2
SCHEMBL8941479 0.93 HTR2C (0.34)
SCHEMBL8941412 0.93 GABRA1 (0.34) FPR2GABRA1GABRB2
SCHEMBL8941575 0.92 PTPN11 (0.34) FPR2GABRA1GABRB2
SCHEMBL8941456 0.92 PTPN11 (0.34) FPR2GABRA1GABRB2
SCHEMBL8941428 0.92 PTPN11 (0.34) FPR2GABRA1GABRB2
SCHEMBL8941332 0.92 PTPN11 (0.34) FPR2GABRA1GABRB2
SCHEMBL8943055 0.92 FPR2 (0.33) FPR2FGFR1FGFR2GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-2206695-A1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2010-07-14 EP disclosed