SCHEMBL8451969

SCHEMBL8451969

CCCCCCC[C@H]1CC[C@H](CC[C@H]2CC[C@H](c3cc(F)c(CCc4cc(F)c(Cl)c(F)c4)c(F)c3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 12/20 0.34
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SPHK2 Q9NRA0 7/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C8 P10632 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
S1PR3 Q99500 1/20 0.30
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30

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
SCHEMBL8451973 1.00 SPHK1 (0.34) SPHK1GAAMAPTMEN1KMT2A
SCHEMBL8447483 1.00 SPHK1 (0.34) SPHK1GAAMAPTMEN1KMT2A
SCHEMBL8451976 1.00 SPHK1 (0.34) SPHK1GAAMAPTMEN1KMT2A
SCHEMBL8447478 1.00 SPHK1 (0.34) SPHK1GAAMAPTMEN1KMT2A
SCHEMBL8447479 1.00 SPHK1 (0.34) SPHK1GAAMAPTMEN1KMT2A
SCHEMBL8452006 0.99 SPHK1 (0.32) SPHK1GAAMAPTMEN1KMT2A
SCHEMBL8452009 0.99 SPHK1 (0.32) SPHK1GAAMAPTMEN1KMT2A
SCHEMBL8452011 0.99 SPHK1 (0.32) SPHK1GAAMAPTMEN1KMT2A
SCHEMBL8448212 0.95 CYP1A2 (0.30) SPHK1
SCHEMBL8448210 0.95 CYP1A2 (0.30) SPHK1

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