SCHEMBL9503213

SCHEMBL9503213

COc1ccc(S(=O)(=O)N[C@@H]2C[C@@H](C=CCCCC(=O)O)N(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 7/20 0.52
▸ MMP1 P03956 5/20 0.52
▸ MMP3 P08254 5/20 0.52
▸ MMP7 P09237 5/20 0.52
▸ MMP13 P45452 5/20 0.52
▸ PTGDR Q13258 6/20 0.51
▸ CA12 O43570 1/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ MMP9 P14780 3/20 0.49
▸ TBXA2R P21731 3/20 0.45
▸ PPARG P37231 1/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ TBXAS1 P24557 2/20 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
SCHEMBL9503209 1.00 MMP2 (0.52) MMP2MMP1MMP3MMP7MMP13
SCHEMBL9503960 0.93 TBXA2R (0.50) MMP2MMP1MMP3MMP7MMP13
SCHEMBL9503163 0.93 TBXA2R (0.50) MMP2MMP1MMP3MMP7MMP13
SCHEMBL9503148 0.93 TBXA2R (0.50) MMP2MMP1MMP3MMP7MMP13
SCHEMBL9506270 0.91 TBXA2R (0.48) MMP2MMP1MMP3MMP7MMP13
SCHEMBL9506284 0.91 TBXA2R (0.48) MMP2MMP1MMP3MMP7MMP13
SCHEMBL9506283 0.91 TBXA2R (0.48) MMP2PTGDRCA12CA1CA2
SCHEMBL9506279 0.91 TBXA2R (0.48) MMP2PTGDRCA12CA1CA2
SCHEMBL9506282 0.91 TBXA2R (0.48) MMP2PTGDRCA12CA1CA2
SCHEMBL9503205 0.90 TBXA2R (0.47) MMP2MMP1MMP3MMP7MMP13

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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