SCHEMBL8453685

SCHEMBL8453685

CCCC[C@H]1CC[C@H](CC[C@H]2CC[C@H](c3ccc(CCc4ccc(Cl)c(F)c4)c(F)c3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 9/20 0.34
PROKR1 Q8TCW9 1/20 0.32
S1PR1 P21453 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
CYP2C9 P11712 1/20 0.32
PANK3 Q9H999 1/20 0.32
KMT2A Q03164 1/20 0.31
SPHK2 Q9NRA0 5/20 0.31

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
SCHEMBL8453690 1.00 SPHK1 (0.34) SPHK1PROKR1S1PR1HTR2AHTR2C
SCHEMBL8453694 1.00 SPHK1 (0.34) SPHK1PROKR1S1PR1HTR2AHTR2C
SCHEMBL8456041 0.97 SPHK1 (0.36) SPHK1PROKR1S1PR1SIGMAR1CYP2C9
SCHEMBL8456044 0.97 SPHK1 (0.36) SPHK1PROKR1S1PR1SIGMAR1CYP2C9
SCHEMBL8456053 0.97 SPHK1 (0.36) SPHK1PROKR1S1PR1SIGMAR1CYP2C9
SCHEMBL8451497 0.96 SPHK1 (0.38) SPHK1S1PR1SIGMAR1CYP2C9SPHK2
SCHEMBL8452053 0.96 SPHK1 (0.38) SPHK1S1PR1SIGMAR1CYP2C9SPHK2
SCHEMBL8452050 0.96 SPHK1 (0.38) SPHK1S1PR1SIGMAR1CYP2C9SPHK2
SCHEMBL8452056 0.96 SPHK1 (0.38) SPHK1S1PR1SIGMAR1CYP2C9SPHK2
SCHEMBL8451498 0.96 SPHK1 (0.38) SPHK1S1PR1SIGMAR1CYP2C9SPHK2

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