SCHEMBL7753608

SCHEMBL7753608

CCOC(=O)[C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
HSD17B10 Q99714 2/20 0.49
HPGD P15428 2/20 0.49
MMP2 P08253 11/20 0.44
MMP13 P45452 9/20 0.44
MMP9 P14780 8/20 0.44
MMP1 P03956 7/20 0.44
MMP3 P08254 7/20 0.44
MMP8 P22894 6/20 0.44
MMP7 P09237 4/20 0.44
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA12 O43570 3/20 0.43
CA9 Q16790 3/20 0.43
CA14 Q9ULX7 1/20 0.43

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
SCHEMBL7752664 0.88 SYK (0.47) ALDH1A1HSD17B10MMP2MMP9LMNA
SCHEMBL7753610 0.83 ITGAV (0.57) MMP7
SCHEMBL7400842 0.81 SYK (0.46) ALDH1A1HSD17B10HPGDMMP2MMP9
SCHEMBL7400840 0.81 SYK (0.46) ALDH1A1HSD17B10HPGDMMP2MMP9
SCHEMBL13639192 0.80 MMP2 (0.50) ALDH1A1HSD17B10HPGDMMP2MMP13
SCHEMBL13639249 0.80 MMP2 (0.50) ALDH1A1HSD17B10HPGDMMP2MMP13
SCHEMBL7753410 0.79 STS (0.54) ALDH1A1MMP2MMP13MMP9MMP1
SCHEMBL7752387 0.79 MMP2 (0.44) ALDH1A1HSD17B10MMP2MMP9MMP8
SCHEMBL16607500 0.79 CA12 (0.50) MMP2MMP13MMP3CA1CA2
SCHEMBL26464688 0.79 CA12 (0.50) MMP2MMP13MMP3CA1CA2

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