SCHEMBL8452676

SCHEMBL8452676

CCCCc1ccc([C@H]2CC[C@H](CCc3cc(F)c(CCc4ccc(Cl)c(F)c4)c(F)c3)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.41
SPHK2 Q9NRA0 7/20 0.37
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL8452680 1.00 SPHK1 (0.41) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL8455497 0.97 SPHK1 (0.46) SPHK1SPHK2CYP2C9
SCHEMBL8455502 0.97 SPHK1 (0.46) SPHK1SPHK2CYP2C9
SCHEMBL8452653 0.96 SPHK1 (0.47) SPHK1SPHK2
SCHEMBL8455981 0.96 SPHK1 (0.47) SPHK1SPHK2
SCHEMBL8455984 0.96 SPHK1 (0.47) SPHK1SPHK2
SCHEMBL8452650 0.96 SPHK1 (0.47) SPHK1SPHK2
SCHEMBL8451061 0.95 SPHK1 (0.45) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL8451057 0.95 SPHK1 (0.45) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL8448497 0.94 MAOA (0.36) SPHK1SPHK2CYP2C9ALDH1A1LMNA

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