SCHEMBL7753620

SCHEMBL7753620

COC(=O)[C@H](CNC(=O)CCNC(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 5/20 0.47
YAP1 P46937 1/20 0.46
GPR119 Q8TDV5 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
LIMK2 P53671 1/20 0.45
MMP13 P45452 7/20 0.45
MMP1 P03956 3/20 0.45
MMP3 P08254 3/20 0.45
MMP7 P09237 3/20 0.45
MMP9 P14780 3/20 0.45
MMP8 P22894 3/20 0.45
MMP2 P08253 3/20 0.45
MYC P01106 1/20 0.43
MAX P61244 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 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
SCHEMBL7753284 0.94 MMP13 (0.47) TGFBR1GPR119KDM4EPKMLIMK2
SCHEMBL7753201 0.89 MMP13 (0.46) TGFBR1GPR119KDM4EPKMLIMK2
SCHEMBL8175348 0.88 YAP1 (0.46) TGFBR1YAP1GPR119KDM4EPKM
SCHEMBL6977329 0.84 TGFBR1 (0.43) TGFBR1GPR119KDM4EPKMLIMK2
SCHEMBL6977326 0.84 TGFBR1 (0.43) TGFBR1GPR119KDM4EPKMLIMK2
SCHEMBL7753390 0.83 YAP1 (0.55) YAP1GPR119KDM4EPKMITGB3
SCHEMBL27449831 0.83 TGFBR1 (0.51) TGFBR1GPR119KDM4EPKMLIMK2
SCHEMBL7752618 0.82 ITGB3 (0.43) YAP1GPR119MYCMAXITGB3
SCHEMBL7752625 0.82 GPR119 (0.41) YAP1GPR119KDM4EPKMMMP13
SCHEMBL7752668 0.82 KDM4E (0.51) TGFBR1GPR119KDM4EPKMLIMK2

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