SCHEMBL7752653

SCHEMBL7752653

CCOC(=O)[C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
THRB P10828 1/20 0.43
HIF1A Q16665 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
USP2 O75604 1/20 0.41
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SYK P43405 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL21994883 0.92 CA1 (0.47) CA1CA2MMP1MMP2MMP9
SCHEMBL21994882 0.92 CA1 (0.47) CA1CA2MMP1MMP2MMP9
SCHEMBL10328444 0.92 CA1 (0.47) CA1CA2MMP1MMP2MMP9
SCHEMBL7753684 0.92 MEN1 (0.41) CA1CA2MMP1MMP2MMP9
SCHEMBL28057963 0.84 THRB (0.47) CA1CA2MMP1MMP2MMP9
SCHEMBL7753610 0.83 ITGAV (0.57) SYKITGAV
SCHEMBL20556383 0.82 CA1 (0.45) CA1CA2MMP1MMP2MMP9
SCHEMBL20556384 0.82 CA1 (0.45) CA1CA2MMP1MMP2MMP9
SCHEMBL7752664 0.82 SYK (0.47) MMP2MMP9SMN1; SMN2ALDH1A1KMT2A
SCHEMBL21029636 0.81 MMP2 (0.46) CA1CA2MMP1MMP2MMP9

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-0725059-B1 2,3-DIAMINOPROPIONIC ACID DERIVATIVE SUMITOMO PHARMA (JP) 2001-01-17 EP disclosed
US-6048854-A ANTICOAGULANTS; ANTICANCER AGENT; WOUND HEALING AGENTS;BONE DISORDERS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-04-11 US disclosed
US-5707994-A USEFUL AS A PLATELET AGGREGATION INHIBITOR, CANCER METASTASIS INHIBITOR, WOUND HEALING AGENT OR A BONE RESORPTION INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-01-13 US disclosed
EP-0725059-A1 2,3-DIAMINOPROPIONIC ACID DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-08-07 EP disclosed