SCHEMBL7732355

SCHEMBL7732355

CCCC[C@H]1CC[C@H](c2ccc(C(F)(F)Oc3ccc(C#N)c(F)c3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 1/20 0.35
TRPC6 Q9Y210 1/20 0.35
TRPV4 Q9HBA0 5/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
AR P10275 5/20 0.33
CYP2C9 P11712 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
AOC3 Q16853 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM1A O60341 1/20 0.31

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
SCHEMBL7732360 1.00 TRPC3 (0.35) TRPC3TRPC6TRPV4ALDH1A1LMNA
SCHEMBL7722576 0.97 TRPC3 (0.35) TRPC3TRPC6TRPV4ALDH1A1LMNA
SCHEMBL7722579 0.97 TRPC3 (0.35) TRPC3TRPC6TRPV4ALDH1A1LMNA
SCHEMBL7733343 0.94 ALDH1A1 (0.39) TRPC3TRPC6TRPV4ALDH1A1LMNA
SCHEMBL7733349 0.94 ALDH1A1 (0.39) TRPC3TRPC6TRPV4ALDH1A1LMNA
SCHEMBL7730519 0.91 TRPC3 (0.36) TRPC3TRPC6TRPV4ARCYP11B1
SCHEMBL7730524 0.91 TRPC3 (0.36) TRPC3TRPC6TRPV4ARCYP11B1
SCHEMBL7731480 0.88 TRPV4 (0.34) TRPV4ARCYP11B1CYP11B2AOC3
SCHEMBL7731471 0.88 TRPV4 (0.34) TRPV4ARCYP11B1CYP11B2AOC3
SCHEMBL7729961 0.88 ALDH1A1 (0.34) ALDH1A1LMNAMAPTCYP2C9MEN1

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