SCHEMBL7740186

SCHEMBL7740186

COCOC[C@H](C[C@H](C)C(=O)NO)NC(=O)c1ccc(-c2cccc(C#N)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.44
MMP9 P14780 4/20 0.44
MMP12 P39900 4/20 0.44
MMP3 P08254 1/20 0.44
CTSB P07858 5/20 0.40
CTSL P07711 3/20 0.39
CTSS P25774 3/20 0.39
CTSK P43235 3/20 0.39
PLAU P00749 2/20 0.38
MME P08473 2/20 0.38
ADAMTS4 O75173 1/20 0.38
HPGDS O60760 1/20 0.37
MMEL1 Q495T6 1/20 0.37
MAP4K4 O95819 1/20 0.36
MINK1 Q8N4C8 1/20 0.36
TNIK Q9UKE5 1/20 0.36

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
SCHEMBL7740182 1.00 MMP2 (0.44) MMP2MMP9MMP12MMP3CTSB
SCHEMBL7734969 0.91 MMP2 (0.54) MMP2MMP9MMP12MMP3CTSB
SCHEMBL7734962 0.91 MMP2 (0.54) MMP2MMP9MMP12MMP3CTSB
SCHEMBL7740537 0.88 CTSB (0.46) MMP2MMP9MMP12MMP3CTSB
SCHEMBL7740534 0.88 CTSB (0.46) MMP2MMP9MMP12MMP3CTSB
SCHEMBL7740015 0.87 MMP2 (0.57) MMP2MMP9MMP12CTSBCTSL
SCHEMBL7740017 0.87 MMP2 (0.57) MMP2MMP9MMP12CTSBCTSL
SCHEMBL7739549 0.84 MMP2 (0.48) MMP2MMP9MMP12MINK1
SCHEMBL7739552 0.84 MMP2 (0.48) MMP2MMP9MMP12MINK1
SCHEMBL7740514 0.83 MMP2 (0.52) MMP2MMP9MMP12CTSBCTSL

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