SCHEMBL8052190

SCHEMBL8052190

C=CCCC1=CCC(C2CCC(c3ccc(-c4ccc(CCC)cc4)cc3)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.35
SPHK2 Q9NRA0 7/20 0.32
P2RY14 Q15391 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
SCHEMBL8049862 0.97 SPHK1 (0.37) SPHK1SPHK2
SCHEMBL8049915 0.94 SPHK1 (0.36) SPHK1SPHK2
SCHEMBL8047566 0.93 SPHK1 (0.46) SPHK1SPHK2
SCHEMBL8052305 0.90 SPHK1 (0.38) SPHK1SPHK2
SCHEMBL8049728 0.89 SPHK1 (0.40) SPHK1SPHK2
SCHEMBL8049145 0.88 SPHK1 (0.42) SPHK1SPHK2
SCHEMBL9062670 0.88 SPHK1 (0.34) SPHK1SPHK2
SCHEMBL8049860 0.88 SPHK1 (0.34) SPHK1SPHK2
SCHEMBL8052414 0.88 SPHK1 (0.45) SPHK1SPHK2
SCHEMBL8055238 0.88 SPHK1 (0.33) SPHK1SPHK2P2RY14

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-0728829-B1 Liquid crystalline alkenylcyclohexene derivative, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 2000-05-03 EP disclosed
US-5698136-A LOW TEMPERATURE COMPATIBILITY, CHEMICAL STABILITY CHISSO CORPORATION (JP) 1997-12-16 US disclosed
EP-0728829-A2 Liquid crystalline alkenylcyclohexene derivative, liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1996-08-28 EP disclosed