SCHEMBL8175348

SCHEMBL8175348

COC(=O)[C@H](CNCCCC(=O)NCCC1CCN(C(=O)OC(C)(C)C)CC1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 1/20 0.46
TGFBR1 P36897 4/20 0.45
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
LIMK2 P53671 1/20 0.43
MMP13 P45452 7/20 0.43
MMP1 P03956 3/20 0.43
MMP3 P08254 3/20 0.43
MMP7 P09237 3/20 0.43
MMP9 P14780 3/20 0.43
MMP8 P22894 3/20 0.43
MMP2 P08253 3/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
GPR119 Q8TDV5 3/20 0.43
HTR6 P50406 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42

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
SCHEMBL7753620 0.88 TGFBR1 (0.47) YAP1TGFBR1KDM4EPKMLIMK2
SCHEMBL7753201 0.84 MMP13 (0.46) TGFBR1KDM4EPKMLIMK2MMP13
SCHEMBL7753284 0.82 MMP13 (0.47) TGFBR1KDM4EPKMLIMK2MMP13
SCHEMBL7752668 0.80 KDM4E (0.51) TGFBR1KDM4EPKMLIMK2MMP13
SCHEMBL6977329 0.76 TGFBR1 (0.43) TGFBR1KDM4EPKMLIMK2MMP13
SCHEMBL6977326 0.76 TGFBR1 (0.43) TGFBR1KDM4EPKMLIMK2MMP13
SCHEMBL7280345 0.76 ITGB3 (0.62) YAP1MMP13MMP1MMP3MMP7
SCHEMBL7280338 0.76 GPR119 (0.51) YAP1TGFBR1LIMK2MMP13MMP1
SCHEMBL8190476 0.76 ITGB3 (0.57) ITGB3ITGA2B
SCHEMBL7752672 0.75 MMP13 (0.45) TGFBR1LIMK2MMP13MMP1MMP3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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