SCHEMBL8047801

SCHEMBL8047801

CC=CCCC1=CCC(C2CCC(c3ccc(CCC)cc3)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.36
SPHK2 Q9NRA0 7/20 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
SCHEMBL8047799 1.00 SPHK1 (0.36) SPHK1SPHK2
SCHEMBL8049860 0.97 SPHK1 (0.34) SPHK1SPHK2
SCHEMBL9062670 0.97 SPHK1 (0.34) SPHK1SPHK2
SCHEMBL8052437 0.92 SPHK1 (0.39) SPHK1SPHK2
SCHEMBL8052440 0.92 SPHK1 (0.39) SPHK1SPHK2
SCHEMBL8052472 0.90 SPHK1 (0.45) SPHK1SPHK2
SCHEMBL8052469 0.90 SPHK1 (0.45) SPHK1SPHK2
SCHEMBL8049862 0.87 SPHK1 (0.37) SPHK1SPHK2
SCHEMBL8037558 0.86 MAOA (0.37)
SCHEMBL8037555 0.86 MAOA (0.37)

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