SCHEMBL8454873

SCHEMBL8454873

CCCc1ccc([C@H]2CC[C@H](C=CCCF)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.43
SPHK2 Q9NRA0 7/20 0.38
HDAC2 Q92769 1/20 0.33
MAOA P21397 2/20 0.31
MAOB P27338 2/20 0.31

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
SCHEMBL8454870 1.00 SPHK1 (0.43) SPHK1SPHK2HDAC2MAOAMAOB
SCHEMBL8454866 1.00 SPHK1 (0.43) SPHK1SPHK2HDAC2MAOAMAOB
SCHEMBL8454713 0.96 SPHK1 (0.40) SPHK1SPHK2HDAC2
SCHEMBL8453938 0.96 SPHK1 (0.40) SPHK1SPHK2HDAC2
SCHEMBL8454728 0.96 SPHK1 (0.40) SPHK1SPHK2HDAC2
SCHEMBL8454730 0.96 SPHK1 (0.40) SPHK1SPHK2HDAC2
SCHEMBL8453930 0.96 SPHK1 (0.40) SPHK1SPHK2HDAC2
SCHEMBL8454718 0.96 SPHK1 (0.40) SPHK1SPHK2HDAC2
SCHEMBL8454333 0.94 SPHK1 (0.39) SPHK1SPHK2MAOAMAOB
SCHEMBL8454337 0.94 SPHK1 (0.39) SPHK1SPHK2MAOAMAOB

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