SCHEMBL8452575

SCHEMBL8452575

CCCCC1CCC(CCC2CCC(c3cc(F)c(CCc4ccc(Cl)cc4)c(F)c3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 10/20 0.37
OPRL1 P41146 3/20 0.34
TP53 P04637 1/20 0.34
DRD2 P14416 3/20 0.34
DRD3 P35462 2/20 0.34
SPHK2 Q9NRA0 6/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL8452572 1.00 SPHK1 (0.37) SPHK1OPRL1TP53DRD2DRD3
SCHEMBL8452566 1.00 SPHK1 (0.37) SPHK1OPRL1TP53DRD2DRD3
SCHEMBL8452510 0.97 SPHK1 (0.39) SPHK1OPRL1SPHK2
SCHEMBL8452501 0.97 SPHK1 (0.39) SPHK1OPRL1SPHK2
SCHEMBL8452505 0.97 SPHK1 (0.39) SPHK1OPRL1SPHK2
SCHEMBL8447966 0.95 SPHK1 (0.41) SPHK1SPHK2
SCHEMBL8448610 0.95 SPHK1 (0.41) SPHK1SPHK2
SCHEMBL8447962 0.95 SPHK1 (0.41) SPHK1SPHK2
SCHEMBL8448607 0.95 SPHK1 (0.41) SPHK1SPHK2
SCHEMBL8447959 0.95 SPHK1 (0.41) SPHK1SPHK2

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