SCHEMBL7730616

SCHEMBL7730616

CCCC[C@H]1CC[C@H](c2ccc(C(F)(F)Oc3cc(F)c(C(F)(F)F)c(F)c3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.35
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
DPP4 P27487 3/20 0.33
SPHK1 Q9NYA1 2/20 0.32
HTR2C P28335 2/20 0.32
ESR2 Q92731 1/20 0.32
IDO1 P14902 1/20 0.31
DRD2 P14416 1/20 0.31
CNR2 P34972 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
SCHEMBL7730622 1.00 ALDH1A1 (0.36) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7733213 0.97 ALDH1A1 (0.34) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7733226 0.97 ALDH1A1 (0.34) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7733220 0.97 ALDH1A1 (0.34) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7733163 0.97 MAPT (0.36) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7733167 0.97 MAPT (0.36) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL12032102 0.95 CNR2 (0.33) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7732547 0.94 MAPT (0.34) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7732551 0.94 MAPT (0.34) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7732540 0.94 MAPT (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 6 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
EP-0786508-B1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORP (JP) 2001-01-17 EP disclosed
US-5858270-A Difluorooxymethane derivative and liquid crystal composition CHISSO CORPORATION (JP) 1999-01-12 US disclosed
US-5728319-A Liquid crystal composition and liquid crystal display device CHISSO CORPORATION (JP) 1998-03-17 US disclosed
EP-0786445-A1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1997-07-30 EP disclosed
EP-0786508-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORPORATION (JP) 1997-07-30 EP disclosed