SCHEMBL7801720

SCHEMBL7801720

O=C(O)CCCCCSC1c2ccccc2COc2ccc(OCc3ccc4ccc(Cl)cc4n3)cc21

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 4/20 0.43
CYSLTR1 Q9Y271 4/20 0.43
TBXA2R P21731 5/20 0.42

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
SCHEMBL7806846 0.97 CYSLTR2 (0.44) CYSLTR2CYSLTR1TBXA2R
SCHEMBL7802326 0.94 TBXA2R (0.44) TBXA2R
SCHEMBL7809802 0.90 TBXA2R (0.43) TBXA2R
SCHEMBL7801447 0.88 TBXA2R (0.42) TBXA2R
SCHEMBL7809811 0.88 TBXA2R (0.44) CYSLTR2CYSLTR1TBXA2R
SCHEMBL7809531 0.87 CYSLTR2 (0.47) CYSLTR2CYSLTR1TBXA2R
SCHEMBL7810729 0.86 TBXA2R (0.41) TBXA2R
SCHEMBL7801398 0.86 CYSLTR1 (0.50) CYSLTR2CYSLTR1TBXA2R
SCHEMBL7801524 0.85 LTB4R (0.41) CYSLTR2CYSLTR1TBXA2R
SCHEMBL7806627 0.85 ALOX5AP (0.42) CYSLTR2CYSLTR1TBXA2R

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