SCHEMBL9533893

SCHEMBL9533893

O=S(=O)(N[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C=CCCCc1nnn[nH]1)c1ccc(Br)cc1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTGDR Q13258 17/20 0.39
▸ TBXAS1 P24557 1/20 0.38
▸ TBXA2R P21731 6/20 0.38
▸ PTGIR P43119 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.37

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
SCHEMBL9533880 1.00 PTGDR (0.39) PTGDRTBXAS1TBXA2RPTGIRHSP90AA1
SCHEMBL9536058 0.91 TBXA2R (0.47) PTGDRTBXAS1TBXA2RPTGIR
SCHEMBL9536070 0.91 TBXA2R (0.47) PTGDRTBXAS1TBXA2RPTGIR
SCHEMBL9792139 0.90 PTGDR (0.40) PTGDRTBXAS1TBXA2RPTGIR
SCHEMBL9792137 0.90 PTGDR (0.40) PTGDRTBXAS1TBXA2RPTGIR
SCHEMBL9792070 0.86 PTGDR (0.49) PTGDRTBXAS1TBXA2RPTGIR
SCHEMBL9792062 0.86 PTGDR (0.49) PTGDRTBXAS1TBXA2RPTGIR
SCHEMBL9534722 0.79 TBXA2R (0.55) PTGDRTBXAS1TBXA2RPTGIR
SCHEMBL9533568 0.79 PTGDR (0.53) PTGDRTBXAS1TBXA2RPTGIR
SCHEMBL9533557 0.79 PTGDR (0.53) PTGDRTBXAS1TBXA2RPTGIR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0352083-B1 Alkenyltetrazole derivatives, their preparation and use SHIONOGI & CO (JP) 1993-11-24 — — EP disclosed
US-5002972-A Compound and composition of substituted hexenoic acid derivatives useful for treating thromboxane A2 mediated diseases SHIONOGI & CO., LTD. (JP) 1991-03-26 — — US disclosed
US-4916231-A THROMBOXANE A2 RECPTOR ANTAGONISTS SHIONOGI & CO., LTD. (JP) 1990-04-10 — — US disclosed
EP-0352083-A2 Alkenyltetrazole derivatives, their preparation and use SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1990-01-24 — — EP disclosed
Send feedback