SCHEMBL7752672

SCHEMBL7752672

CCOC(=O)[C@H](CNC(=O)CCCC(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 8/20 0.45
GPR119 Q8TDV5 6/20 0.45
LIMK2 P53671 1/20 0.42
USP30 Q70CQ3 1/20 0.42
MMP1 P03956 4/20 0.42
MMP3 P08254 3/20 0.42
MMP7 P09237 3/20 0.42
MMP9 P14780 3/20 0.42
MMP8 P22894 3/20 0.42
MMP2 P08253 2/20 0.42
STS P08842 2/20 0.41
TGFBR1 P36897 1/20 0.41

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
SCHEMBL7752668 0.90 KDM4E (0.51) MMP13GPR119LIMK2MMP1MMP3
SCHEMBL7753201 0.85 MMP13 (0.46) MMP13GPR119LIMK2MMP1MMP3
SCHEMBL7753284 0.84 MMP13 (0.47) MMP13GPR119LIMK2MMP1MMP3
SCHEMBL27462862 0.81 LIMK2 (0.44) MMP13GPR119LIMK2USP30STS
SCHEMBL6977326 0.79 TGFBR1 (0.43) MMP13GPR119LIMK2MMP1MMP3
SCHEMBL6977329 0.79 TGFBR1 (0.43) MMP13GPR119LIMK2MMP1MMP3
SCHEMBL7754664 0.78 ALDH1A1 (0.48) MMP13STS
SCHEMBL7753620 0.77 TGFBR1 (0.47) MMP13GPR119LIMK2MMP1MMP3
SCHEMBL7951214 0.77 TGFBR1 (0.44) MMP13GPR119LIMK2MMP1MMP3
SCHEMBL7494534 0.76 ITGB3 (0.51) MMP13STSTGFBR1

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