SCHEMBL8447261

SCHEMBL8447261

CCCCCc1ccc([C@H]2CC[C@H](CCc3ccc(-c4ccc(Cl)cc4)cc3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.56
SPHK2 Q9NRA0 7/20 0.49
KCNH2 Q12809 3/20 0.44
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL8447264 1.00 SPHK1 (0.56) SPHK1SPHK2KCNH2HRH3
SCHEMBL8451950 0.99 SPHK1 (0.58) SPHK1SPHK2KCNH2
SCHEMBL8452084 0.99 SPHK1 (0.58) SPHK1SPHK2KCNH2
SCHEMBL8451955 0.99 SPHK1 (0.58) SPHK1SPHK2KCNH2
SCHEMBL8452081 0.99 SPHK1 (0.58) SPHK1SPHK2KCNH2
SCHEMBL8448110 0.96 SPHK1 (0.50) SPHK1SPHK2
SCHEMBL8448108 0.96 SPHK1 (0.50) SPHK1SPHK2
SCHEMBL8451618 0.95 SPHK1 (0.58) SPHK1SPHK2KCNH2
SCHEMBL8451622 0.95 SPHK1 (0.58) SPHK1SPHK2KCNH2
SCHEMBL8447563 0.94 SPHK1 (0.60) SPHK1SPHK2KCNH2

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