SCHEMBL7809802

SCHEMBL7809802

O=C(O)CSC1c2ccccc2COc2ccc(OCc3ccc4ccc(Cl)cc4n3)cc21

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 6/20 0.43
TBXAS1 P24557 3/20 0.42
ALOX5 P09917 1/20 0.41
ALOX5AP P20292 1/20 0.41
LTB4R Q15722 2/20 0.40

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
SCHEMBL7802326 0.93 TBXA2R (0.44) TBXA2RTBXAS1
SCHEMBL7808205 0.92 TBXA2R (0.47) TBXA2RTBXAS1ALOX5ALOX5APLTB4R
SCHEMBL7806846 0.91 CYSLTR2 (0.44) TBXA2RTBXAS1
SCHEMBL7801720 0.90 CYSLTR2 (0.43) TBXA2R
SCHEMBL7801325 0.89 TBXA2R (0.48) TBXA2RTBXAS1
SCHEMBL7801447 0.89 TBXA2R (0.42) TBXA2RTBXAS1LTB4R
SCHEMBL7801524 0.88 LTB4R (0.41) TBXA2RALOX5APLTB4R
SCHEMBL7810729 0.87 TBXA2R (0.41) TBXA2RTBXAS1LTB4R
SCHEMBL7809811 0.87 TBXA2R (0.44) TBXA2RTBXAS1
SCHEMBL7808112 0.85 LTB4R (0.38) TBXA2RTBXAS1LTB4R

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