SCHEMBL7735121

SCHEMBL7735121

CC(C)CC(CCNC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.55
MMP9 P14780 5/20 0.55
MMP12 P39900 4/20 0.55
MMP1 P03956 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
ADAM17 P78536 1/20 0.48
MAPK14 Q16539 2/20 0.47
HPGD P15428 1/20 0.47
EPHX2 P34913 1/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
MCHR1 Q99705 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MMP13 P45452 2/20 0.45

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
SCHEMBL14094945 0.85 MMP2 (0.62) MMP2MMP9MMP12MMP1SMN1; SMN2
SCHEMBL7742604 0.85 PPARG (0.56) MMP2MMP9MMP12MMP1SMN1; SMN2
SCHEMBL7739393 0.83 MMP1 (0.55) MMP2MMP9MMP12MMP1SMN1; SMN2
SCHEMBL7741169 0.80 MAPK14 (0.61) MMP2MMP1SMN1; SMN2CA12CA1
SCHEMBL7735088 0.80 MMP13 (0.55) MMP1RAB9ACA1CA2CA9
SCHEMBL13103503 0.80 MMP13 (0.55) MMP1RAB9ACA1CA2CA9
SCHEMBL7734878 0.79 PPARG (0.50) MMP2MMP9MMP1SMN1; SMN2CA12
SCHEMBL7742557 0.79 MAPK14 (0.61) MMP2MMP9MMP12MMP1SMN1; SMN2
SCHEMBL7740519 0.78 TRPV1 (0.49) MMP2MMP9MMP12MMP1SMN1; SMN2
SCHEMBL7742553 0.78 MMP13 (0.53) MMP2MMP1SMN1; SMN2NPC1RAB9A

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 6 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
CN-1282319-A Aminobutanoic acid derivatives ONO PHARMACEUTICAL CO (JP) 2001-01-31 CN 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
CN-1282319-A Aminobutanoic acid derivatives ONO PHARMACEUTICAL CO (JP) 2001-01-31 CN disclosed
EP-1024134-A1 AMINOBUTANOIC ACID DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-08-02 EP disclosed