SCHEMBL8447492

SCHEMBL8447492

CCCCCc1ccc([C@H]2CC[C@H](CCc3ccc(CCc4cc(F)c(Cl)c(F)c4)cc3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.51
SPHK2 Q9NRA0 7/20 0.46
CYP2C9 P11712 1/20 0.36
HTR2A P28223 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 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
SCHEMBL8447497 1.00 SPHK1 (0.51) SPHK1SPHK2CYP2C9HTR2AALDH1A1
SCHEMBL8452042 0.99 SPHK1 (0.53) SPHK1SPHK2HTR2A
SCHEMBL8448570 0.99 SPHK1 (0.53) SPHK1SPHK2HTR2A
SCHEMBL8448572 0.99 SPHK1 (0.53) SPHK1SPHK2HTR2A
SCHEMBL8452046 0.99 SPHK1 (0.53) SPHK1SPHK2HTR2A
SCHEMBL8447751 0.96 SPHK1 (0.46) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL8447754 0.96 SPHK1 (0.46) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL8448310 0.96 SPHK1 (0.47) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL8448314 0.96 SPHK1 (0.47) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL8452215 0.95 SPHK1 (0.49) SPHK1SPHK2HTR2A

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