SCHEMBL7734951

SCHEMBL7734951

CCC(CC(COCOCCOC)NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.53
MMP9 P14780 5/20 0.53
MMP12 P39900 4/20 0.53
PPARG P37231 5/20 0.42
PPARA Q07869 4/20 0.42
EPHX2 P34913 1/20 0.42
ADAM17 P78536 1/20 0.41
MMP1 P03956 1/20 0.39
MMP13 P45452 3/20 0.39
PPARD Q03181 2/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
NAMPT P43490 1/20 0.38
HDAC3 O15379 1/20 0.38
LTA4H P09960 1/20 0.37
UTS2R Q9UKP6 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
SCHEMBL7734955 1.00 MMP2 (0.53) MMP2MMP9MMP12PPARGPPARA
SCHEMBL7739432 0.93 MMP2 (0.56) MMP2MMP9MMP12PPARGPPARA
SCHEMBL7739424 0.93 MMP2 (0.56) MMP2MMP9MMP12PPARGPPARA
SCHEMBL7742598 0.91 MMP2 (0.56) MMP2MMP9MMP12PPARGPPARA
SCHEMBL7742607 0.91 MMP2 (0.56) MMP2MMP9MMP12PPARGPPARA
SCHEMBL6298106 0.90 MMP2 (0.54) MMP2MMP9MMP12PPARGPPARA
SCHEMBL6298105 0.90 MMP2 (0.54) MMP2MMP9MMP12PPARGPPARA
SCHEMBL5998707 0.89 MMP2 (0.69) MMP2MMP9MMP12PPARGADAM17
SCHEMBL5998713 0.89 MMP2 (0.69) MMP2MMP9MMP12PPARGADAM17
SCHEMBL7739595 0.86 MMP2 (0.47) MMP2MMP9MMP12ADAM17MMP13

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