SCHEMBL7722579

SCHEMBL7722579

CCCCCC1CCC(c2ccc(C(F)(F)Oc3ccc(C#N)c(F)c3)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 1/20 0.35
TRPC6 Q9Y210 1/20 0.35
TRPV4 Q9HBA0 5/20 0.33
AR P10275 4/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.32
AOC3 Q16853 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM1A O60341 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
SCHEMBL7722576 1.00 TRPC3 (0.35) TRPC3TRPC6TRPV4ARALDH1A1
SCHEMBL7732360 0.97 TRPC3 (0.35) TRPC3TRPC6TRPV4ARALDH1A1
SCHEMBL7732355 0.97 TRPC3 (0.35) TRPC3TRPC6TRPV4ARALDH1A1
SCHEMBL7733343 0.93 ALDH1A1 (0.39) TRPC3TRPC6TRPV4ARALDH1A1
SCHEMBL7733349 0.93 ALDH1A1 (0.39) TRPC3TRPC6TRPV4ARALDH1A1
SCHEMBL7730524 0.90 TRPC3 (0.36) TRPC3TRPC6TRPV4ARAOC3
SCHEMBL7730519 0.90 TRPC3 (0.36) TRPC3TRPC6TRPV4ARAOC3
SCHEMBL12625931 0.90 KDM1A (0.34) TRPV4CYP2C9CYP11B1CYP11B2KDM1A
SCHEMBL7722535 0.88 TRPV4 (0.33) TRPV4ARAOC3CYP11B1CYP11B2
SCHEMBL7722538 0.88 TRPV4 (0.33) TRPV4ARAOC3CYP11B1CYP11B2

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