SCHEMBL9505317

SCHEMBL9505317

COC(=O)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.61
ANPEP P15144 2/20 0.61
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MEN1 O00255 2/20 0.51
POLB P06746 1/20 0.51
TSHR P16473 1/20 0.47
MMP1 P03956 3/20 0.47
MMP3 P08254 2/20 0.47
MMP7 P09237 2/20 0.47
MMP9 P14780 1/20 0.46
ADAM17 P78536 1/20 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

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
SCHEMBL5418223 1.00 MMP2 (0.61) MMP2ANPEPALDH1A1KMT2AL3MBTL1
SCHEMBL5418227 1.00 MMP2 (0.61) MMP2ANPEPALDH1A1KMT2AL3MBTL1
SCHEMBL17833288 1.00 MMP2 (0.61) MMP2ANPEPALDH1A1KMT2AL3MBTL1
SCHEMBL2227030 0.88 KMT2A (0.64) MMP2ANPEPALDH1A1KMT2AL3MBTL1
SCHEMBL21551113 0.88 KMT2A (0.64) MMP2ANPEPALDH1A1KMT2AL3MBTL1
SCHEMBL8106846 0.88 KMT2A (0.64) MMP2ANPEPALDH1A1KMT2AL3MBTL1
SCHEMBL1734641 0.87 MMP2 (0.68) MMP2ANPEPALDH1A1KMT2AL3MBTL1
SCHEMBL1734643 0.87 MMP2 (0.68) MMP2ANPEPALDH1A1KMT2AL3MBTL1
SCHEMBL8498279 0.87 MMP1 (0.62) MMP2ALDH1A1POLBMMP1MMP3
SCHEMBL8144145 0.87 MMP1 (0.62) MMP2ALDH1A1POLBMMP1MMP3

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