SCHEMBL7742692

SCHEMBL7742692

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

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
MMP2 P08253 4/20 0.35
MMP9 P14780 4/20 0.35
MMP12 P39900 4/20 0.35
ACACB O00763 1/20 0.35

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
SCHEMBL7742697 1.00 HDAC1 (0.36) HDAC1HDAC2EGLN1MMP2MMP9
SCHEMBL7734957 0.94 EGLN1 (0.37) EGLN1MMP2MMP9MMP12ACACB
SCHEMBL7734967 0.94 EGLN1 (0.37) EGLN1MMP2MMP9MMP12ACACB
SCHEMBL7734918 0.89 MMP2 (0.44) HDAC1HDAC2MMP2MMP12ACACB
SCHEMBL7734920 0.89 MMP2 (0.44) HDAC1HDAC2MMP2MMP12ACACB
SCHEMBL7739798 0.85 MMP2 (0.44) HDAC1HDAC2MMP2MMP12
SCHEMBL7739789 0.85 MMP2 (0.44) HDAC1HDAC2MMP2MMP12
SCHEMBL7741260 0.84 TAS1R3 (0.36) HDAC1HDAC2ACACB
SCHEMBL7741257 0.84 TAS1R3 (0.36) HDAC1HDAC2ACACB
SCHEMBL7742595 0.84 TAS1R3 (0.36) HDAC1HDAC2ACACB

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