SCHEMBL7734965

SCHEMBL7734965

CCCC1CCC(c2ccc(C(F)(F)Oc3cc(F)c(C#N)c(F)c3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.39
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
GRM2 Q14416 3/20 0.32
HSD11B1 P28845 1/20 0.31
ESR2 Q92731 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
SCHEMBL7734960 1.00 ALDH1A1 (0.40) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7729961 0.94 ALDH1A1 (0.34) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7729955 0.94 ALDH1A1 (0.34) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7735036 0.93 MAPT (0.34) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7735032 0.93 MAPT (0.34) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7731542 0.92 GRM2 (0.32) ALDH1A1LMNAMAPTCYP2C9GRM2
SCHEMBL7731538 0.92 GRM2 (0.32) ALDH1A1LMNAMAPTCYP2C9GRM2
SCHEMBL13636632 0.89 ALDH1A1 (0.40) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7729296 0.88 ALDH1A1 (0.44) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7729301 0.88 ALDH1A1 (0.44) 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