SCHEMBL8451644

SCHEMBL8451644

CCCOCCc1ccc(-c2ccc(C3CCC(C/C=C/CF)CC3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.36
SPHK2 Q9NRA0 7/20 0.33
FFAR4 Q5NUL3 1/20 0.32
CYP2C9 P11712 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 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
SCHEMBL8454721 0.88 SPHK1 (0.41) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL8451655 0.83 SPHK1 (0.34) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8730801 0.80 SPHK1 (0.33) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL8727544 0.80 SPHK1 (0.33) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL8730790 0.80 SPHK1 (0.33) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL8727541 0.80 SPHK1 (0.33) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL8727547 0.80 SPHK1 (0.33) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL8730784 0.80 SPHK1 (0.33) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL8451641 0.79 SPHK1 (0.36) SPHK1SPHK2FFAR4
SCHEMBL8447881 0.78 CYP2C9 (0.40) SPHK1CYP2C9ALDH1A1LMNAMAPT

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-0679707-B1 Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 1999-06-16 EP disclosed
US-5720899-A Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1998-02-24 US disclosed
US-5653911-A Liquid crystalline compound liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1997-08-05 US disclosed
EP-0679707-A1 Liquid crystalline compound, liquid crystal composition and liquid crystal display element Chisso Corporation (JP) 1995-11-02 EP disclosed