SCHEMBL7808205

SCHEMBL7808205

O=C(O)CSC1c2ccccc2COc2ccc(OCc3ccc4ccccc4n3)cc21

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 3/20 0.47
LTB4R Q15722 2/20 0.47
CYSLTR1 Q9Y271 5/20 0.47
GPBAR1 Q8TDU6 2/20 0.47
CYSLTR2 Q9NS75 4/20 0.46
FFAR1 O14842 1/20 0.46
AKR1B1 P15121 1/20 0.46
ALOX5AP P20292 1/20 0.44
ALOX5 P09917 1/20 0.44
TBXAS1 P24557 1/20 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
SCHEMBL7801398 0.92 CYSLTR1 (0.50) TBXA2RLTB4RCYSLTR1GPBAR1CYSLTR2
SCHEMBL7809802 0.92 TBXA2R (0.43) TBXA2RLTB4RALOX5APALOX5TBXAS1
SCHEMBL7806920 0.88 CYSLTR1 (0.54) TBXA2RLTB4RCYSLTR1CYSLTR2TBXAS1
SCHEMBL7809586 0.86 LTB4R (0.47) TBXA2RLTB4RCYSLTR1GPBAR1CYSLTR2
SCHEMBL7810763 0.85 LTB4R (0.46) LTB4RCYSLTR1GPBAR1CYSLTR2ALOX5AP
SCHEMBL7801351 0.85 LTB4R (0.46) TBXA2RLTB4RCYSLTR1GPBAR1CYSLTR2
SCHEMBL7806552 0.84 LTB4R (0.46) TBXA2RLTB4RCYSLTR1GPBAR1CYSLTR2
SCHEMBL7802326 0.84 TBXA2R (0.44) TBXA2RTBXAS1
SCHEMBL7808348 0.84 CYSLTR2 (0.49) TBXA2RCYSLTR1CYSLTR2TBXAS1
SCHEMBL7809811 0.83 TBXA2R (0.44) TBXA2RCYSLTR1CYSLTR2TBXAS1

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