SCHEMBL7734821

SCHEMBL7734821

CCCC1CCC(c2ccc(C(F)(F)Oc3cc(F)c(OC(F)F)c(F)c3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

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 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
IDO1 P14902 1/20 0.33
ESR2 Q92731 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
SCHEMBL7734811 1.00 ALDH1A1 (0.40) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7729433 0.97 ALDH1A1 (0.38) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7729438 0.97 ALDH1A1 (0.38) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7729446 0.97 ALDH1A1 (0.38) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7729807 0.94 ALDH1A1 (0.34) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7729806 0.94 ALDH1A1 (0.34) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7732653 0.93 ALDH1A1 (0.33) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7732657 0.93 ALDH1A1 (0.33) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7729922 0.93 IDO1 (0.34) ALDH1A1LMNAMAPTCYP2C9IDO1
SCHEMBL7729925 0.93 IDO1 (0.34) ALDH1A1LMNAMAPTCYP2C9IDO1

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