SCHEMBL6663192

SCHEMBL6663192

CCc1ccc(C(F)(F)OCCc2cc(F)c(C#N)c(F)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.35
TRPV4 Q9HBA0 1/20 0.35
FFAR4 Q5NUL3 1/20 0.30
CACNA1H O95180 1/20 0.30
KIF11 P52732 1/20 0.30
EDNRB P24530 1/20 0.30
EDNRA P25101 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
SCHEMBL6666038 0.91 TRPV4 (0.34) TRPV4
SCHEMBL6662921 0.88 HSD17B10 (0.39) TRPV4
SCHEMBL6665018 0.86 DAO (0.39) CYP2A6TRPV4CACNA1H
SCHEMBL6662997 0.85 KIF11 (0.33) FFAR4KIF11EDNRBEDNRA
SCHEMBL6662044 0.83 DAO (0.35) FFAR4KIF11EDNRBEDNRA
SCHEMBL7730381 0.82 DAO (0.33) CYP2A6TRPV4FFAR4
SCHEMBL6664131 0.82 KIF11 (0.33) FFAR4KIF11EDNRBEDNRA
SCHEMBL6661164 0.81 CYP2A6 (0.54) CYP2A6KIF11
SCHEMBL6664049 0.81 FFAR4 (0.35) FFAR4KIF11EDNRBEDNRA
SCHEMBL6666943 0.80 ALDH1A1 (0.38) FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0893423-B1 LIQUID CRYSTAL COMPOUNDS HAVING FLUORINATED LINKAGES, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY DEVICES CHISSO CORP (JP) 2004-09-01 EP disclosed