SCHEMBL9503339

SCHEMBL9503339

COC(=O)[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(OC)cc2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 8/20 0.55
▸ MMP2 P08253 7/20 0.55
▸ MMP3 P08254 7/20 0.55
▸ MMP7 P09237 7/20 0.55
▸ MMP13 P45452 7/20 0.55
▸ CA12 O43570 1/20 0.52
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ CA9 Q16790 1/20 0.52
▸ STS P08842 1/20 0.51
▸ MMP9 P14780 7/20 0.49
▸ NR1H2 P55055 3/20 0.46
▸ MMP8 P22894 3/20 0.45
▸ NR1H3 Q13133 1/20 0.44
▸ NAAA Q02083 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ PTPN1 P18031 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
SCHEMBL9503295 0.91 NR1H2 (0.48) MMP1MMP2MMP3MMP7MMP13
SCHEMBL13106876 0.91 NR1H2 (0.48) MMP1MMP2MMP3MMP7MMP13
SCHEMBL9006094 0.90 STS (0.49) MMP1MMP2MMP3MMP7MMP13
SCHEMBL9506253 0.89 NR1H2 (0.50) MMP2CA12CA1CA2CA9
SCHEMBL9507059 0.89 NR1H2 (0.50) MMP2CA12CA1CA2CA9
SCHEMBL9505085 0.88 NR1H2 (0.50) MMP1MMP2MMP3MMP7MMP13
SCHEMBL30638141 0.87 MMP2 (0.52) MMP1MMP2MMP3MMP7MMP13
SCHEMBL9506352 0.84 STS (0.53) MMP1MMP2MMP3MMP7MMP13
SCHEMBL30476456 0.83 STS (0.48) MMP1MMP2MMP3MMP7MMP13
SCHEMBL12267639 0.81 NR1H2 (0.50) MMP2CA12CA1CA2CA9

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 2 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
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