SCHEMBL9506352

SCHEMBL9506352

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ STS P08842 2/20 0.53
▸ MMP1 P03956 7/20 0.49
▸ MMP3 P08254 6/20 0.49
▸ MMP7 P09237 6/20 0.49
▸ MMP13 P45452 6/20 0.49
▸ MMP2 P08253 5/20 0.49
▸ MMP9 P14780 6/20 0.46
▸ MMP8 P22894 3/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ NR1H2 P55055 2/20 0.43
▸ HRH2 P25021 1/20 0.43
▸ HRH1 P35367 1/20 0.43
▸ NAAA Q02083 1/20 0.43
▸ GLA P06280 1/20 0.42
▸ TGFBR1 P36897 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
SCHEMBL9504084 0.90 NR1H2 (0.46) STSMMP13ALDH1A1NR1H2HRH2
SCHEMBL9006196 0.89 STS (0.52) STSNR1H2HRH2HRH1
SCHEMBL9503238 0.89 NR1H2 (0.46) NR1H2TGFBR1
SCHEMBL10701160 0.89 NR1H2 (0.46) NR1H2TGFBR1
SCHEMBL9507014 0.89 NR1H2 (0.46) NR1H2TGFBR1
SCHEMBL9506263 0.87 NR1H2 (0.48) STSALDH1A1NR1H2TGFBR1
SCHEMBL30476456 0.86 STS (0.48) STSMMP1MMP3MMP7MMP13
SCHEMBL9503339 0.84 MMP1 (0.55) STSMMP1MMP3MMP7MMP13
SCHEMBL13662045 0.78 CTSL (0.52) ALDH1A1NR1H2
SCHEMBL30476480 0.76 LIPE (0.45) STS

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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