SCHEMBL8081944

SCHEMBL8081944

C=CCC/C=C/c1ccccc1C1(CCC)C=CC(C(=O)O)C=C1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.31
CYSLTR1 Q9Y271 2/20 0.31

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
SCHEMBL8081838 0.79
SCHEMBL20594531 0.68
SCHEMBL20594627 0.65 CYSLTR2 (0.43) CYSLTR2CYSLTR1
SCHEMBL5665859 0.65 CYSLTR2 (0.43) CYSLTR2CYSLTR1
SCHEMBL20594607 0.64 CYP2D6 (0.40) CYSLTR2CYSLTR1
SCHEMBL20594580 0.61 CYSLTR2 (0.34) CYSLTR2CYSLTR1
SCHEMBL22157658 0.61 CYSLTR2 (0.34) CYSLTR2CYSLTR1
SCHEMBL20594623 0.61 CYSLTR2 (0.34) CYSLTR2CYSLTR1
SCHEMBL4453048 0.61 TRPA1 (0.47)
SCHEMBL8048523 0.61 TSHR (0.35)

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