SCHEMBL2888653

SCHEMBL2888653

CCCC1CCC(c2ccccc2-c2cccc(O)c2F)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.37
OPRL1 P41146 5/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
DRD2 P14416 1/20 0.34
SLC6A4 P31645 1/20 0.34
KDM4E B2RXH2 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
CES2 O00748 1/20 0.33

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
SCHEMBL9639405 0.84 CYP2C9 (0.44) CYP2C9OPRL1ALDH1A1LMNAMAPT
SCHEMBL4650755 0.84 CYP2C9 (0.44) CYP2C9OPRL1ALDH1A1LMNAMAPT
SCHEMBL8459048 0.83 OPRL1 (0.39) CYP2C9OPRL1ALDH1A1LMNAMAPT
SCHEMBL28003026 0.82 OPRL1 (0.40) CYP2C9OPRL1ALDH1A1LMNAMAPT
SCHEMBL1119886 0.81 CYP2C9 (0.45) CYP2C9OPRL1ALDH1A1LMNAMAPT
SCHEMBL1680067 0.81 CYP2C9 (0.45) CYP2C9OPRL1ALDH1A1LMNAMAPT
SCHEMBL29290905 0.81 CYP2C9 (0.39) CYP2C9OPRL1ALDH1A1LMNAMAPT
SCHEMBL2888658 0.81 CYP2C9 (0.48) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL1574998 0.80 CYP2C9 (0.42) CYP2C9OPRL1ALDH1A1LMNAMAPT
SCHEMBL3270112 0.80 CYP2C9 (0.42) CYP2C9OPRL1ALDH1A1LMNAMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1818384-B1 Liquid crystal compound, liquid crystal composition, and liquid crystal display device CHISSO CORP (JP) 2010-07-14 EP disclosed
US-7740769-B2 Liquid crystal compound, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2010-06-22 US disclosed
US-20070187644-A1 Liquid crystal compound, liquid crystal composition, and liquid crystal display device JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2007-08-16 US disclosed
EP-1818384-A1 Liquid crystal compound, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2007-08-15 EP disclosed