SCHEMBL7734948

SCHEMBL7734948

CCCCC[C@H]1CC[C@H](c2ccc(C(F)(F)Oc3ccc(OC(F)F)c(F)c3)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 2/20 0.32
FFAR1 O14842 1/20 0.31
KCNH2 Q12809 1/20 0.31
CACNA1C Q13936 1/20 0.31
CNR2 P34972 9/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
PDE4D Q08499 1/20 0.30
SPHK1 Q9NYA1 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
SCHEMBL7734954 1.00 IDO1 (0.33) IDO1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL7733771 0.97 IDO1 (0.32) IDO1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL7733781 0.97 IDO1 (0.32) IDO1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL7733783 0.97 IDO1 (0.32) IDO1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL7722583 0.97 IDO1 (0.34) IDO1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL7722584 0.97 IDO1 (0.34) IDO1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL7733584 0.94 IDO1 (0.33) IDO1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL7733588 0.94 IDO1 (0.33) IDO1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL7733590 0.94 IDO1 (0.33) IDO1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL7731063 0.93 ALDH1A1 (0.39) IDO1ALDH1A1LMNAMAPTCYP2C9

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