SCHEMBL7734798

SCHEMBL7734798

COCOC[C@H](C[C@H](C)C(=O)NO)NC(=O)c1ccc(C=Cc2ccc(Cl)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.47
MMP9 P14780 4/20 0.47
MMP12 P39900 4/20 0.47
HTT P42858 1/20 0.43
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
NOS2 P35228 2/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38

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
SCHEMBL7734801 1.00 MMP2 (0.47) MMP2MMP9MMP12HTTNOS3
SCHEMBL7734795 1.00 MMP2 (0.47) MMP2MMP9MMP12HTTNOS3
SCHEMBL7741003 0.95 MMP2 (0.51) MMP2MMP9MMP12HTTPOLB
SCHEMBL7741007 0.95 MMP2 (0.51) MMP2MMP9MMP12HTTPOLB
SCHEMBL7734696 0.92 MMP2 (0.48) MMP2MMP9MMP12HTTPOLB
SCHEMBL7734698 0.92 MMP2 (0.48) MMP2MMP9MMP12HTTPOLB
SCHEMBL7740338 0.89 KDM1A (0.46) MMP2MMP9MMP12HTTHDAC1
SCHEMBL7740331 0.89 KDM1A (0.46) MMP2MMP9MMP12HTTHDAC1
SCHEMBL7742658 0.88 MMP2 (0.48) MMP2MMP9MMP12HTTPOLB
SCHEMBL7742668 0.88 MMP2 (0.48) MMP2MMP9MMP12HTTPOLB

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