SCHEMBL6663925

SCHEMBL6663925

C=CCCc1ccc(CC(F)(F)OCc2ccc(C3CCC(C=C)CC3)cc2)cc1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.31
SPHK1 Q9NYA1 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
SCHEMBL6666731 0.93 ESR2 (0.35) ESR2
SCHEMBL6664069 0.91 ESR2 (0.36) ESR2
SCHEMBL6664161 0.91 ESR2 (0.36) ESR2SPHK1
SCHEMBL6662962 0.91 ESR2 (0.36) ESR2
SCHEMBL6665975 0.90 SPHK1 (0.30) SPHK1
SCHEMBL6665723 0.90 SPHK1 (0.30) SPHK1
SCHEMBL6667755 0.87 HTR2C (0.40)
SCHEMBL6661107 0.87 ESR2 (0.40) ESR2
SCHEMBL6663971 0.86 ESR2 (0.33) ESR2SPHK1
SCHEMBL6665871 0.85 ESR2 (0.39) ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0893423-B1 LIQUID CRYSTAL COMPOUNDS HAVING FLUORINATED LINKAGES, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY DEVICES CHISSO CORP (JP) 2004-09-01 EP disclosed