SCHEMBL7741322

SCHEMBL7741322

C=CCCc1ccc([C@H]2CC[C@H]([C@H]3CC[C@H](C=C(F)F)CC3)CC2)cc1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.33
SPHK2 Q9NRA0 7/20 0.32
ALOX5 P09917 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
SCHEMBL7741326 1.00 SPHK1 (0.33) SPHK1SPHK2ALOX5
SCHEMBL9626542 0.84 SPHK1 (0.43) SPHK1SPHK2ALOX5
SCHEMBL9626535 0.84 SPHK1 (0.43) SPHK1SPHK2ALOX5
SCHEMBL9624666 0.82 SPHK1 (0.50) SPHK1SPHK2
SCHEMBL9624663 0.82 SPHK1 (0.50) SPHK1SPHK2
SCHEMBL9625599 0.81 SPHK1 (0.36) SPHK1SPHK2
SCHEMBL9625604 0.81 SPHK1 (0.36) SPHK1SPHK2
SCHEMBL9625586 0.81 SPHK1 (0.56) SPHK1SPHK2
SCHEMBL9625583 0.81 SPHK1 (0.56) SPHK1SPHK2
SCHEMBL7741337 0.80 SPHK1 (0.37) SPHK1SPHK2ALOX5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891314-B1 BISALKENYL DERIVATIVES, LIQUID CRYSTALLINE COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS CHISSO CORP (JP) 2001-09-05 EP disclosed
US-6180027-B1 DISPLAY DEVICE CHISSO CORPORATION (JP) 2001-01-30 US disclosed
EP-0891314-A1 BISALKENYL DERIVATIVES, LIQUID CRYSTALLINE COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS CHISSO CORPORATION (JP) 1999-01-20 EP disclosed
WO-1997034855-A1 BISALKENYL DERIVATIVES, LIQUID CRYSTALLINE COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS CHISSO CORPORATION (JP) 1997-09-25 WO disclosed