SCHEMBL7748751

SCHEMBL7748751

CC(C)(C)OC(=O)NC[C@H](NS(=O)(=O)c1ccccc1)C(=O)OCOC(=O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.42
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
ITGAV P06756 1/20 0.39
BCL2 P10415 1/20 0.39
ITGB3 P05106 7/20 0.39
ITGA2B P08514 7/20 0.39
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
MMP2 P08253 3/20 0.38
MMP9 P14780 3/20 0.38
TSHR P16473 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
PSMB8 P28062 1/20 0.37
MMP8 P22894 1/20 0.37
MMP12 P39900 1/20 0.37
MMP14 P50281 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
SCHEMBL7748705 0.89 ALDH1A1 (0.38) SYKALDH1A1MAPTCA12CA1
SCHEMBL7752664 0.87 SYK (0.47) SYKALDH1A1MAPTITGAVBCL2
SCHEMBL7748713 0.87 SYK (0.40) SYKALDH1A1ITGAVCTSSCA12
SCHEMBL7400842 0.87 SYK (0.46) SYKALDH1A1MAPTITGAVBCL2
SCHEMBL7400840 0.87 SYK (0.46) SYKALDH1A1MAPTITGAVBCL2
SCHEMBL7041551 0.84 ITGAV (0.53) ALDH1A1MAPTITGAVITGB3ITGA2B
SCHEMBL27464973 0.84 ITGAV (0.53) ALDH1A1MAPTITGAVITGB3ITGA2B
SCHEMBL7753338 0.81 CA1 (0.43) ALDH1A1MMP2MMP9CA12CA1
SCHEMBL7748647 0.79 SYK (0.63) SYKMAPTCTSLCTSS
SCHEMBL7752387 0.78 MMP2 (0.44) SYKALDH1A1MAPTITGB3ITGA2B

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