SCHEMBL7731063

SCHEMBL7731063

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 2/20 0.38
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
IDO1 P14902 1/20 0.35
FFAR1 O14842 1/20 0.33
KCNH2 Q12809 1/20 0.33
CACNA1C Q13936 1/20 0.33
PDE4B Q07343 3/20 0.31
PDE4A P27815 2/20 0.30
PDE4C Q08493 2/20 0.30
PDE4D Q08499 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
SCHEMBL7731068 1.00 ALDH1A1 (0.39) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7731367 0.97 ALDH1A1 (0.37) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7731362 0.97 ALDH1A1 (0.37) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7731355 0.97 ALDH1A1 (0.37) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7722584 0.94 IDO1 (0.34) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7722583 0.94 IDO1 (0.34) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7734948 0.93 IDO1 (0.33) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7734954 0.93 IDO1 (0.33) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7722845 0.93 IDO1 (0.35) ALDH1A1LMNAMAPTCYP2C9IDO1
SCHEMBL7722850 0.93 IDO1 (0.35) 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