SCHEMBL7806683

SCHEMBL7806683

COC(=O)/C=C1/c2ccccc2COc2ccc(OCc3ccc4ccccc4n3)cc21

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 2/20 0.48
ALOX5AP P20292 5/20 0.45
GPBAR1 Q8TDU6 2/20 0.45
ALOX5 P09917 2/20 0.44
TBXA2R P21731 2/20 0.44

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
SCHEMBL7806684 1.00 CYSLTR1 (0.48) CYSLTR1ALOX5APGPBAR1ALOX5TBXA2R
SCHEMBL7801584 0.90 CYSLTR1 (0.49) CYSLTR1GPBAR1ALOX5TBXA2R
SCHEMBL7801585 0.90 CYSLTR1 (0.49) CYSLTR1GPBAR1ALOX5TBXA2R
SCHEMBL7801525 0.81 MAPT (0.56) CYSLTR1GPBAR1ALOX5
SCHEMBL7810465 0.79 PDE10A (0.48) CYSLTR1ALOX5APGPBAR1ALOX5
SCHEMBL7810468 0.79 PDE10A (0.48) CYSLTR1ALOX5APGPBAR1ALOX5
SCHEMBL7809640 0.77 CYSLTR1 (0.46) CYSLTR1ALOX5APGPBAR1ALOX5
SCHEMBL7809637 0.77 CYSLTR1 (0.46) CYSLTR1ALOX5APGPBAR1ALOX5
SCHEMBL8034925 0.75 ALOX5 (0.53) CYSLTR1GPBAR1ALOX5
SCHEMBL8034921 0.75 ALOX5 (0.53) CYSLTR1GPBAR1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0685478-B1 QUINOLINE DERIVATIVES UBE INDUSTRIES (JP) 2001-10-24 EP disclosed
US-5591752-A LEUKOTRIENE ANTAGONIST, ANTIALLERGEN, ANTIINFLAMMATORY AGENT, DIBENZ(B,E)OXEPINE UBE INDUSTRIES, LTD. (JP) 1997-01-07 US disclosed
EP-0685478-A1 QUINOLINE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 1995-12-06 EP disclosed