SCHEMBL7723263

SCHEMBL7723263

CCC[C@H]1CC[C@H](c2ccc([O])c(F)c2F)CC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.42
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
OPRL1 P41146 16/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL12994006 0.85 CYP2C9 (0.42) CYP2C9ALDH1A1LMNAMAPTOPRL1
SCHEMBL12716298 0.84 CYP2C9 (0.42) CYP2C9ALDH1A1LMNAMAPTOPRL1
SCHEMBL26044764 0.84 CYP2C9 (0.42) CYP2C9ALDH1A1LMNAMAPTOPRL1
SCHEMBL9406149 0.84 CYP2C9 (0.41) CYP2C9ALDH1A1LMNAMAPTOPRL1
SCHEMBL18559470 0.84 CYP2C9 (0.41) CYP2C9ALDH1A1LMNAMAPTOPRL1
SCHEMBL9406145 0.84 CYP2C9 (0.41) CYP2C9ALDH1A1LMNAMAPTOPRL1
SCHEMBL7861045 0.83 CYP2C9 (0.41) CYP2C9ALDH1A1LMNAMAPTOPRL1
SCHEMBL14235341 0.83 OPRL1 (0.43) CYP2C9ALDH1A1LMNAMAPTOPRL1
SCHEMBL7912614 0.83 KDM1A (0.44) CYP2C9ALDH1A1LMNAMAPTOPRL1
SCHEMBL12716105 0.83 OPRL1 (0.43) CYP2C9ALDH1A1LMNAMAPTOPRL1

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-0916639-B1 LIQUID CRYSTAL COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS CONTAINING THE COMPOUNDS, AND LIQUID CRYSTAL DISPLAY DEVICES MADE BY USING THE COMPOSITIONS CHISSO CORP (JP) 2002-06-12 EP disclosed
US-6319570-B1 LIQUID CRYSTALS AND VISUAL AIDS FILM TRANSISTOR (TFT) DISPLAY MODE DEVELOP PREFERABLE PHYSICAL PROPERTIES CHISSO CORPORATION (JP) 2001-11-20 US disclosed
EP-1043299-A2 Liquid crystalline compound, liquid crystal composition comprising the liquid crystalline compound, and liquid crystal display device using the liquid crystal composition CHISSO CORPORATION (JP) 2000-10-11 EP disclosed