SCHEMBL7741002

SCHEMBL7741002

CCCCCC#Cc1ccc(C(=O)NC(COCOC)CC(C)C(=O)NO)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.43
MMP12 P39900 5/20 0.43
MMP9 P14780 4/20 0.43
PPARG P37231 1/20 0.41
ASAH2 Q9NR71 2/20 0.39
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGA4 P13612 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
SCHEMBL7741004 1.00 MMP2 (0.43) MMP2MMP12MMP9PPARGASAH2
SCHEMBL7734661 0.85 MMP2 (0.47) MMP2MMP12MMP9
SCHEMBL7734657 0.85 MMP2 (0.47) MMP2MMP12MMP9
SCHEMBL7739627 0.84 MMP2 (0.43) MMP2MMP12PPARGASAH2FFAR1
SCHEMBL7739631 0.84 MMP2 (0.43) MMP2MMP12PPARGASAH2FFAR1
SCHEMBL7742443 0.83 MMP2 (0.53) MMP2MMP12MMP9
SCHEMBL7742448 0.83 MMP2 (0.53) MMP2MMP12MMP9
SCHEMBL7735312 0.82 PLG (0.39) MMP2MMP12ITGB1ITGA4
SCHEMBL7735314 0.82 PLG (0.39) MMP2MMP12ITGB1ITGA4
SCHEMBL7734969 0.80 MMP2 (0.54) MMP2MMP12MMP9

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 3 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
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