SCHEMBL8454563

SCHEMBL8454563

CCc1ccc([C@H]2CC[C@H]([C@H]3CC[C@H](C=CCCCF)CC3)CC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 12/20 0.35
SPHK2 Q9NRA0 7/20 0.31
HDAC2 Q92769 1/20 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
SCHEMBL8454554 1.00 SPHK1 (0.35) SPHK1SPHK2HDAC2
SCHEMBL8448068 0.92 SPHK1 (0.33) SPHK1HDAC2
SCHEMBL8448077 0.92 SPHK1 (0.33) SPHK1HDAC2
SCHEMBL8453321 0.90 CYP2C9 (0.35) SPHK1SPHK2
SCHEMBL8453324 0.90 CYP2C9 (0.35) SPHK1SPHK2
SCHEMBL8453318 0.90 CYP2C9 (0.35) SPHK1SPHK2
SCHEMBL8451684 0.90 HDAC2 (0.32) SPHK1HDAC2
SCHEMBL8451678 0.90 HDAC2 (0.32) SPHK1HDAC2
SCHEMBL8456505 0.88 SPHK1 (0.35) SPHK1SPHK2HDAC2
SCHEMBL8456511 0.88 SPHK1 (0.35) SPHK1SPHK2HDAC2

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