SCHEMBL8448136

SCHEMBL8448136

CCCCc1ccc([C@H]2CC[C@H](CCc3cc(F)c(CCc4ccc(Cl)cc4)c(F)c3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.43
SPHK2 Q9NRA0 7/20 0.38
DRD2 P14416 1/20 0.37
CNR1 P21554 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL8448143 1.00 SPHK1 (0.43) SPHK1SPHK2DRD2CNR1MAOB
SCHEMBL8455464 0.97 SPHK1 (0.47) SPHK1SPHK2DRD2
SCHEMBL8455469 0.97 SPHK1 (0.47) SPHK1SPHK2DRD2
SCHEMBL8447294 0.96 SPHK1 (0.49) SPHK1SPHK2
SCHEMBL8447296 0.96 SPHK1 (0.49) SPHK1SPHK2
SCHEMBL8452741 0.96 SPHK1 (0.49) SPHK1SPHK2
SCHEMBL8452744 0.96 SPHK1 (0.49) SPHK1SPHK2
SCHEMBL8448642 0.94 SPHK1 (0.43) SPHK1SPHK2
SCHEMBL8448638 0.94 SPHK1 (0.43) SPHK1SPHK2
SCHEMBL8454123 0.93 DRD2 (0.39) SPHK1DRD2CNR1MAOB

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