SCHEMBL7733599

SCHEMBL7733599

C=CCCCC1CCC(c2ccc(C(F)(F)Oc3ccc(C#N)c(F)c3)cc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 1/20 0.34
TRPC6 Q9Y210 1/20 0.34
TRPV4 Q9HBA0 5/20 0.33
FFAR4 Q5NUL3 1/20 0.31
AOC3 Q16853 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
SCHEMBL7733595 1.00 TRPC3 (0.34) TRPC3TRPC6TRPV4FFAR4AOC3
SCHEMBL7729286 0.94 TRPC3 (0.35) TRPC3TRPC6TRPV4FFAR4AOC3
SCHEMBL7729282 0.94 TRPC3 (0.35) TRPC3TRPC6TRPV4FFAR4AOC3
SCHEMBL7732738 0.89
SCHEMBL7732743 0.89
SCHEMBL7732355 0.87 TRPC3 (0.35) TRPC3TRPC6TRPV4AOC3
SCHEMBL7732360 0.87 TRPC3 (0.35) TRPC3TRPC6TRPV4AOC3
SCHEMBL7722576 0.87 TRPC3 (0.35) TRPC3TRPC6TRPV4AOC3
SCHEMBL7722579 0.87 TRPC3 (0.35) TRPC3TRPC6TRPV4AOC3
SCHEMBL7733343 0.85 ALDH1A1 (0.39) TRPC3TRPC6TRPV4FFAR4AOC3

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
EP-0786445-B1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORP (JP) 2002-07-17 EP disclosed
US-5858270-A Difluorooxymethane derivative and liquid crystal composition CHISSO CORPORATION (JP) 1999-01-12 US disclosed
EP-0786445-A1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1997-07-30 EP disclosed