SCHEMBL9024183

SCHEMBL9024183

COc1ccc(S(=O)(=O)N[C@@H]2C[C@@H](C=CCCCC(=O)O)N(Cc3ccccc3)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGDR Q13258 13/20 0.52
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ TBXA2R P21731 6/20 0.46
▸ MMP2 P08253 2/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ MMP1 P03956 1/20 0.42
▸ MMP3 P08254 1/20 0.42
▸ MMP7 P09237 1/20 0.42
▸ MMP13 P45452 1/20 0.42
▸ PTGIR P43119 1/20 0.42

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
SCHEMBL9006209 1.00 PTGDR (0.52) PTGDRCA12CA1CA2CA9
SCHEMBL9006075 0.94 PTGDR (0.46) PTGDRCA12CA1CA2CA9
SCHEMBL9024635 0.94 PTGDR (0.46) PTGDRCA12CA1CA2CA9
SCHEMBL9024212 0.93 PTGDR (0.51) PTGDRCA12CA1CA2CA9
SCHEMBL9006148 0.93 PTGDR (0.51) PTGDRCA12CA1CA2CA9
SCHEMBL9006115 0.91 TBXA2R (0.49) PTGDRTBXA2RPTGIR
SCHEMBL9024816 0.91 TBXA2R (0.49) PTGDRTBXA2RPTGIR
SCHEMBL9025167 0.90 TBXA2R (0.48) PTGDRTBXA2RPTGIR
SCHEMBL9006131 0.90 TBXA2R (0.48) PTGDRTBXA2RPTGIR
SCHEMBL9006242 0.87 PTGDR (0.43) PTGDRCA12CA1CA2CA9

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-0367130-B1 Pyrrolidine derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1996-10-02 — — EP disclosed
US-5264453-A Pyrrolidine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-11-23 — — US disclosed
US-5130323-A PYRROLIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-07-14 — — US disclosed
EP-0367130-A2 Pyrrolidine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-05-09 — — EP disclosed
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