SCHEMBL7739459

SCHEMBL7739459

CCOCOCC(CC(C)C(=O)NO)NC(=O)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.50
MMP9 P14780 4/20 0.50
MMP12 P39900 4/20 0.50
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
TRPA1 O75762 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PPARG P37231 1/20 0.36
P2RX7 Q99572 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
SCHEMBL7739462 1.00 MMP2 (0.50) MMP2MMP9MMP12HTTSMN1; SMN2
SCHEMBL7740289 0.90 MMP2 (0.51) MMP2MMP9MMP12HTTSMN1; SMN2
SCHEMBL7740288 0.90 MMP2 (0.51) MMP2MMP9MMP12HTTSMN1; SMN2
SCHEMBL7742781 0.90 MMP2 (0.51) MMP2MMP9MMP12HTTSMN1; SMN2
SCHEMBL7742784 0.90 MMP2 (0.51) MMP2MMP9MMP12HTTSMN1; SMN2
SCHEMBL7741007 0.90 MMP2 (0.51) MMP2MMP9MMP12HTTSMN1; SMN2
SCHEMBL7741003 0.90 MMP2 (0.51) MMP2MMP9MMP12HTTSMN1; SMN2
SCHEMBL7742668 0.89 MMP2 (0.48) MMP2MMP9MMP12HTTLMNA
SCHEMBL7742658 0.89 MMP2 (0.48) MMP2MMP9MMP12HTTLMNA
SCHEMBL7741055 0.89 MMP2 (0.50) MMP2MMP9MMP12LMNATAS1R3

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