SCHEMBL8969450

SCHEMBL8969450

CCOc1ccc(-c2ccc(-c3ccc(CCC4CCC(C)OC4)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.38
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
FFAR4 Q5NUL3 1/20 0.32
FPR2 P25090 2/20 0.31
RET P07949 1/20 0.31
FGFR2 P21802 1/20 0.31
ESR1 P03372 1/20 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
SCHEMBL8969016 0.87 NAAA (0.40) NAAAGRIN1GRIN2BFFAR4RET
SCHEMBL9020120 0.84
SCHEMBL12024094 0.84 NAAA (0.35) NAAAGRIN1GRIN2BFPR2FGFR2
SCHEMBL8969132 0.84 NAAA (0.35) NAAA
SCHEMBL13262919 0.83 NAAA (0.38) NAAAFFAR4FPR2
SCHEMBL8969506 0.82 NAAA (0.36) NAAAFFAR4FPR2
SCHEMBL12024108 0.82 NAAA (0.34) NAAAGRIN1GRIN2BFPR2FGFR2
SCHEMBL8969516 0.82 SLC6A2 (0.36) NAAA
SCHEMBL8969551 0.82 NAAA (0.37) NAAAFFAR4FPR2ESR1
SCHEMBL12024269 0.82 NAAA (0.35) NAAAGRIN1GRIN2BFPR2FGFR2

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
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