SCHEMBL7739786

SCHEMBL7739786

COCOC[C@H](C[C@H](C)C(=O)NO)NC(=O)c1ccc(C#Cc2ccc(C)cc2)s1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 7/20 0.36
MMP2 P08253 7/20 0.36
ALDH1A1 P00352 1/20 0.36
MMP12 P39900 4/20 0.34
ACACB O00763 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
ANPEP P15144 1/20 0.31
MMP3 P08254 1/20 0.31

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
SCHEMBL7739776 1.00 MMP9 (0.36) MMP9MMP2ALDH1A1MMP12ACACB
SCHEMBL7734657 0.86 MMP2 (0.47) MMP9MMP2MMP12
SCHEMBL7734661 0.86 MMP2 (0.47) MMP9MMP2MMP12
SCHEMBL7740873 0.75 KDM4E (0.49) MMP9MMP2ALDH1A1MMP12ANPEP
SCHEMBL7740867 0.75 KDM4E (0.49) MMP9MMP2ALDH1A1MMP12ANPEP
SCHEMBL7739817 0.74 MMP2 (0.47) MMP9MMP2ALDH1A1MMP12TAS1R3
SCHEMBL7739825 0.74 MMP2 (0.47) MMP9MMP2ALDH1A1MMP12TAS1R3
SCHEMBL7741002 0.72 MMP2 (0.43) MMP9MMP2MMP12
SCHEMBL7741004 0.72 MMP2 (0.43) MMP9MMP2MMP12
SCHEMBL7734969 0.72 MMP2 (0.54) MMP9MMP2MMP12MMP3

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
US-6420427-B1 PREVENTION AND/OR TREATMENT OF RHEUMATOID DISEASES, ARTHROSTEITIS, UNUSUAL BONE RESORPTION, OSTEOPOROSIS, PERIODONTITIS, INTERSTITIAL NEPHRITIS, ARTERIOSCLEROSIS, PULMONARY EMPHYSEMA, CIRRHOSIS, CORNEA INJURY ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US claimed
EP-1024134-A1 AMINOBUTANOIC ACID DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-08-02 EP claimed
US-6420427-B1 PREVENTION AND/OR TREATMENT OF RHEUMATOID DISEASES, ARTHROSTEITIS, UNUSUAL BONE RESORPTION, OSTEOPOROSIS, PERIODONTITIS, INTERSTITIAL NEPHRITIS, ARTERIOSCLEROSIS, PULMONARY EMPHYSEMA, CIRRHOSIS, CORNEA INJURY ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US disclosed
EP-1024134-A1 AMINOBUTANOIC ACID DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-08-02 EP disclosed