SCHEMBL8448607

SCHEMBL8448607

CCCCCCCCCC[C@H]1CC[C@H](CC[C@H]2CC[C@H](c3cc(F)c(CCc4ccc(Cl)cc4)c(F)c3)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.41
SPHK2 Q9NRA0 7/20 0.37
KCNH2 Q12809 3/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35

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
SCHEMBL8448610 1.00 SPHK1 (0.41) SPHK1SPHK2KCNH2ITGB3ITGA2B
SCHEMBL8447959 1.00 SPHK1 (0.41) SPHK1SPHK2KCNH2ITGB3ITGA2B
SCHEMBL8447962 1.00 SPHK1 (0.41) SPHK1SPHK2KCNH2ITGB3ITGA2B
SCHEMBL8447966 1.00 SPHK1 (0.41) SPHK1SPHK2KCNH2ITGB3ITGA2B
SCHEMBL8448612 1.00 SPHK1 (0.41) SPHK1SPHK2KCNH2ITGB3ITGA2B
SCHEMBL8452510 0.99 SPHK1 (0.39) SPHK1SPHK2KCNH2
SCHEMBL8452505 0.99 SPHK1 (0.39) SPHK1SPHK2KCNH2
SCHEMBL8452501 0.99 SPHK1 (0.39) SPHK1SPHK2KCNH2
SCHEMBL8452566 0.95 SPHK1 (0.37) SPHK1SPHK2
SCHEMBL8452572 0.95 SPHK1 (0.37) SPHK1SPHK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5858275-A Chlorobenzene derivative and liquid crystal composition containing the same CHISSO CORPORATION (JP) 1999-01-12 US disclosed
EP-0785179-A1 CHLOROBENZENE DERIVATIVE AND LIQUID-CRYSTAL COMPOSITION CONTAINING THE SAME CHISSO CORPORATION (JP) 1997-07-23 EP disclosed