SCHEMBL7810554

SCHEMBL7810554

O=C(O)CCSC1c2ccccc2COc2ccc(OCc3ccc4cc(F)ccc4n3)cc21

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 8/20 0.44
CYSLTR2 Q9NS75 4/20 0.42
CYSLTR1 Q9Y271 4/20 0.42
TBXAS1 P24557 5/20 0.41

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
SCHEMBL7808348 0.94 CYSLTR2 (0.49) TBXA2RCYSLTR2CYSLTR1TBXAS1
SCHEMBL7801398 0.91 CYSLTR1 (0.50) TBXA2RCYSLTR2CYSLTR1
SCHEMBL7809811 0.91 TBXA2R (0.44) TBXA2RCYSLTR2CYSLTR1TBXAS1
SCHEMBL7806618 0.91 TBXA2R (0.49) TBXA2RCYSLTR2CYSLTR1TBXAS1
SCHEMBL7810171 0.89 TBXA2R (0.43) TBXA2RCYSLTR2CYSLTR1TBXAS1
SCHEMBL5331476 0.88 TBXA2R (0.42) TBXA2RTBXAS1
SCHEMBL7806623 0.87 TBXA2R (0.42) TBXA2RTBXAS1
SCHEMBL7806853 0.87 TBXA2R (0.43) TBXA2RCYSLTR2CYSLTR1TBXAS1
SCHEMBL7802326 0.86 TBXA2R (0.44) TBXA2RTBXAS1
SCHEMBL7809813 0.86 TBXA2R (0.42) TBXA2RTBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0685478-B1 QUINOLINE DERIVATIVES UBE INDUSTRIES (JP) 2001-10-24 EP claimed
EP-0685478-A1 QUINOLINE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 1995-12-06 EP claimed
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