SCHEMBL9503233

SCHEMBL9503233

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 5/20 0.48
▸ MMP2 P08253 5/20 0.48
▸ MMP9 P14780 5/20 0.48
▸ CA9 Q16790 3/20 0.48
▸ MMP1 P03956 1/20 0.45
▸ MMP3 P08254 1/20 0.45
▸ MMP7 P09237 1/20 0.45
▸ MMP13 P45452 1/20 0.45
▸ CA2 P00918 4/20 0.45
▸ CA1 P00915 2/20 0.45
▸ HSD11B1 P28845 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ TBXA2R P21731 2/20 0.40
▸ LIPE Q05469 2/20 0.39
▸ HDAC8 Q9BY41 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ SCN3A Q9NY46 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
SCHEMBL9503226 1.00 CA12 (0.48) CA12MMP2MMP9CA9MMP1
SCHEMBL9503268 0.85 MMP2 (0.45) CA12MMP2MMP9CA9MMP1
SCHEMBL9503272 0.85 MMP2 (0.45) CA12MMP2MMP9CA9MMP1
SCHEMBL9504152 0.83 MMP2 (0.46) CA12MMP2MMP9CA9MMP1
SCHEMBL9503096 0.83 MMP2 (0.46) CA12MMP2MMP9CA9MMP1
SCHEMBL9504365 0.83 MMP2 (0.46) CA12MMP2MMP9CA9MMP1
SCHEMBL9503089 0.83 MMP2 (0.46) CA12MMP2MMP9CA9MMP1
SCHEMBL9503148 0.83 TBXA2R (0.50) CA12MMP2MMP9CA9MMP1
SCHEMBL9503960 0.83 TBXA2R (0.50) CA12MMP2MMP9CA9MMP1
SCHEMBL9503163 0.83 TBXA2R (0.50) CA12MMP2MMP9CA9MMP1

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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