SCHEMBL7808405

SCHEMBL7808405

O=C(O)c1ccc(S(=O)(=O)NCCSC2c3ccccc3COc3ccc(OCc4ccc5ccccc5n4)cc32)cc1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 16/20 0.71
TBXAS1 P24557 4/20 0.67
CYSLTR1 Q9Y271 2/20 0.52

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
SCHEMBL7810557 0.89 TBXA2R (0.56) TBXA2RTBXAS1CYSLTR1
SCHEMBL7808478 0.86 TBXA2R (0.59) TBXA2RTBXAS1
SCHEMBL7808077 0.85 TBXA2R (0.52) TBXA2RTBXAS1CYSLTR1
SCHEMBL7806920 0.85 CYSLTR1 (0.54) TBXA2RTBXAS1CYSLTR1
SCHEMBL9375425 0.83 TBXA2R (1.00) TBXA2RTBXAS1
SCHEMBL7801398 0.83 CYSLTR1 (0.50) TBXA2RCYSLTR1
SCHEMBL9371208 0.82 TBXA2R (1.00) TBXA2RTBXAS1
SCHEMBL7808205 0.82 TBXA2R (0.47) TBXA2RTBXAS1CYSLTR1
SCHEMBL9375506 0.81 TBXA2R (1.00) TBXA2RTBXAS1
SCHEMBL9371532 0.79 TBXA2R (0.88) 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 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