SCHEMBL9503200

SCHEMBL9503200

O=C(O)CCCC/C=C\[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)CN1S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 6/20 0.47
▸ MMP2 P08253 5/20 0.43
▸ CA12 O43570 4/20 0.43
▸ MMP9 P14780 3/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ TBXAS1 P24557 5/20 0.41
▸ CA2 P00918 3/20 0.40
▸ MMP1 P03956 1/20 0.40
▸ MMP3 P08254 1/20 0.40
▸ MMP7 P09237 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ PTGDR Q13258 2/20 0.39
▸ PTGIR P43119 1/20 0.39

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
SCHEMBL9503205 1.00 TBXA2R (0.47) TBXA2RMMP2CA12MMP9CA9
SCHEMBL9503148 0.97 TBXA2R (0.50) TBXA2RMMP2CA12MMP9CA9
SCHEMBL9503163 0.97 TBXA2R (0.50) TBXA2RMMP2CA12MMP9CA9
SCHEMBL9503960 0.97 TBXA2R (0.50) TBXA2RMMP2CA12MMP9CA9
SCHEMBL9506283 0.94 TBXA2R (0.48) TBXA2RMMP2CA12MMP9CA9
SCHEMBL9506279 0.94 TBXA2R (0.48) TBXA2RMMP2CA12MMP9CA9
SCHEMBL9506282 0.94 TBXA2R (0.48) TBXA2RMMP2CA12MMP9CA9
SCHEMBL9506270 0.93 TBXA2R (0.48) TBXA2RMMP2CA12MMP9CA9
SCHEMBL9506284 0.93 TBXA2R (0.48) TBXA2RMMP2CA12MMP9CA9
SCHEMBL9503213 0.90 MMP2 (0.52) TBXA2RMMP2CA12MMP9CA9

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-0289911-B1 PYRROLIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-16 — — EP disclosed
US-4916152-A THROMBOXANE A2 ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-04-10 — — US disclosed
EP-0289911-A2 Pyrrolidine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-11-09 — — EP disclosed
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