SCHEMBL7809637

SCHEMBL7809637

O=C(O)CO/N=C1\c2ccccc2COc2ccc(OCc3ccc4ccccc4n3)cc21

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 5/20 0.46
GPBAR1 Q8TDU6 3/20 0.46
CYSLTR2 Q9NS75 4/20 0.46
ALOX5 P09917 2/20 0.45
FFAR1 O14842 1/20 0.45
AKR1B1 P15121 1/20 0.45
ALOX5AP P20292 3/20 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
SCHEMBL7809640 1.00 CYSLTR1 (0.46) CYSLTR1GPBAR1CYSLTR2ALOX5FFAR1
SCHEMBL7810479 0.89 ALOX5AP (0.41) CYSLTR1GPBAR1ALOX5ALOX5AP
SCHEMBL7810478 0.89 ALOX5AP (0.41) CYSLTR1GPBAR1ALOX5ALOX5AP
SCHEMBL7810468 0.85 PDE10A (0.48) CYSLTR1GPBAR1CYSLTR2ALOX5ALOX5AP
SCHEMBL7810465 0.85 PDE10A (0.48) CYSLTR1GPBAR1CYSLTR2ALOX5ALOX5AP
SCHEMBL7801525 0.80 MAPT (0.56) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL7801585 0.80 CYSLTR1 (0.49) CYSLTR1GPBAR1CYSLTR2ALOX5FFAR1
SCHEMBL7801584 0.80 CYSLTR1 (0.49) CYSLTR1GPBAR1CYSLTR2ALOX5FFAR1
SCHEMBL7813341 0.77 LTB4R (0.48) CYSLTR1GPBAR1CYSLTR2ALOX5FFAR1
SCHEMBL7806683 0.77 CYSLTR1 (0.48) CYSLTR1GPBAR1ALOX5ALOX5AP

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