SCHEMBL8077244

SCHEMBL8077244

CCCc1ccc(C2CCC(/C=C/C3CCC(=O)CC3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 13/20 0.44
▸ ESR2 Q92731 2/20 0.42
▸ SPHK2 Q9NRA0 7/20 0.39

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
SCHEMBL8077249 1.00 SPHK1 (0.44) SPHK1ESR2SPHK2
SCHEMBL9419274 0.88 ESR2 (0.55) SPHK1ESR2SPHK2
SCHEMBL8081956 0.87 SPHK1 (0.46) SPHK1SPHK2
SCHEMBL3480904 0.85 SPHK1 (0.47) SPHK1ESR2SPHK2
SCHEMBL9477981 0.82 SPHK1 (0.47) SPHK1SPHK2
SCHEMBL8963157 0.82 SPHK1 (0.47) SPHK1SPHK2
SCHEMBL9477993 0.82 SPHK1 (0.47) SPHK1SPHK2
SCHEMBL9478002 0.82 SPHK1 (0.47) SPHK1SPHK2
SCHEMBL8963144 0.82 SPHK1 (0.47) SPHK1SPHK2
SCHEMBL1710144 0.81 SPHK1 (0.49) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0805134-B1 NOVEL LIQUID-CRYSTAL COMPOUNDS BEARING DIENYL MOIETY AND LIQUID-CRYSTAL COMPOSITION CHISSO CORP (JP) 2000-08-30 — — EP disclosed
US-6086964-A Liquid crystalline compound having dienyl moiety and liquid crystal composition CHISSO CORPORATION (JP) 2000-07-11 — — US disclosed
US-6001275-A LIQUID CRYSTALLINE COMPOUND WHICH HAS A LARGE RATIO OF ELASTIC CONSTANTS, HAS A LOW VISCOSITY, EXCELLENT MISCIBILITY WITH OTHER LIQUID CRYSTALLINE COMPOUND, CHEMICALLY STABLE; HAVING AN UNCONJUGATED ALKADIENYL GROUP AT A SIDE CHAIN. CHISSO CORPORATION (JP) 1999-12-14 — — US disclosed
EP-0805134-A1 NOVEL LIQUID-CRYSTAL COMPOUNDS BEARING DIENYL MOIETY AND LIQUID-CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1997-11-05 — — EP disclosed
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