SCHEMBL7734957

SCHEMBL7734957

COCOCC(CCC(=O)NO)NC(=O)c1ccc(C#CCOc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.37
MMP2 P08253 4/20 0.37
MMP9 P14780 4/20 0.37
MMP12 P39900 4/20 0.37
ACACB O00763 1/20 0.37

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
SCHEMBL7734967 1.00 EGLN1 (0.37) EGLN1MMP2MMP9MMP12ACACB
SCHEMBL7742692 0.94 HDAC1 (0.36) EGLN1MMP2MMP9MMP12ACACB
SCHEMBL7742697 0.94 HDAC1 (0.36) EGLN1MMP2MMP9MMP12ACACB
SCHEMBL7741260 0.91 TAS1R3 (0.36) ACACB
SCHEMBL7741257 0.91 TAS1R3 (0.36) ACACB
SCHEMBL7742595 0.91 TAS1R3 (0.36) ACACB
SCHEMBL7734918 0.89 MMP2 (0.44) MMP2MMP12ACACB
SCHEMBL7734920 0.89 MMP2 (0.44) MMP2MMP12ACACB
SCHEMBL7739798 0.86 MMP2 (0.44) MMP2MMP12
SCHEMBL7739789 0.86 MMP2 (0.44) MMP2MMP12

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 2 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 disclosed