SCHEMBL8047899

SCHEMBL8047899

C=CCCCCC1=CCC(c2ccc(-c3ccc(C4CCC(CCCCCC)CC4)cc3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.37
SPHK2 Q9NRA0 7/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 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
SCHEMBL8055136 0.96 SPHK1 (0.34) SPHK1SPHK2GAAMAPT
SCHEMBL8055288 0.94 SPHK1 (0.36) SPHK1SPHK2GAAMAPT
SCHEMBL8049793 0.93 CYP2C9 (0.36) SPHK1SPHK2GAAMAPT
SCHEMBL8055278 0.90 CYP2C9 (0.39) SPHK1MAPT
SCHEMBL8047519 0.90 CYP2C9 (0.37) SPHK1GAAMAPT
SCHEMBL8049834 0.85 CYP2C9 (0.43) MAPT
SCHEMBL8047997 0.84 SPHK1 (0.34) SPHK1SPHK2GAAMAPT
SCHEMBL8047992 0.84 SPHK1 (0.34) SPHK1SPHK2GAAMAPT
SCHEMBL8049016 0.81 SPHK1 (0.44) SPHK1SPHK2
SCHEMBL8037986 0.81 CYP2C9 (0.32)

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