SCHEMBL7753684

SCHEMBL7753684

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
USP2 O75604 1/20 0.41
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
HIF1A Q16665 1/20 0.39
THRB P10828 1/20 0.39
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MALT1 Q9UDY8 1/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
MCL1 Q07820 1/20 0.37

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
SCHEMBL7752653 0.92 CA1 (0.45) MEN1KMT2AUSP2CA1CA2
SCHEMBL7752387 0.84 MMP2 (0.44) CA1CA2MMP2MMP9MMP8
SCHEMBL21994883 0.84 CA1 (0.47) CA1CA2MMP1MMP2MMP9
SCHEMBL21994882 0.84 CA1 (0.47) CA1CA2MMP1MMP2MMP9
SCHEMBL10328444 0.84 CA1 (0.47) CA1CA2MMP1MMP2MMP9
SCHEMBL7753688 0.83 MEN1 (0.40) MEN1KMT2AUSP2CA1CA2
SCHEMBL20556384 0.81 CA1 (0.45) CA1CA2MMP1MMP2MMP9
SCHEMBL20556383 0.81 CA1 (0.45) CA1CA2MMP1MMP2MMP9
SCHEMBL21029636 0.80 MMP2 (0.46) MEN1KMT2ACA1CA2MMP1
SCHEMBL30299067 0.79 CA1 (0.44) MEN1KMT2ACA1CA2MMP1

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