SCHEMBL7739817

SCHEMBL7739817

COCOCC(CC(C)C(=O)NO)NC(=O)c1ccc(NC(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.47
MMP9 P14780 4/20 0.47
MMP12 P39900 4/20 0.47
RAB9A P51151 7/20 0.45
NPC1 O15118 6/20 0.45
SMN1; SMN2 Q16637 6/20 0.40
MAPT P10636 2/20 0.40
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MCL1 Q07820 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
NAMPT P43490 1/20 0.38

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
SCHEMBL7739825 1.00 MMP2 (0.47) MMP2MMP9MMP12RAB9ANPC1
SCHEMBL7734657 0.88 MMP2 (0.47) MMP2MMP9MMP12
SCHEMBL7734661 0.88 MMP2 (0.47) MMP2MMP9MMP12
SCHEMBL8121676 0.84 MMP2 (0.44) MMP2MMP9MMP12RAB9ASMN1; SMN2
SCHEMBL7740288 0.84 MMP2 (0.51) MMP2MMP9MMP12SMN1; SMN2MAPT
SCHEMBL7740289 0.84 MMP2 (0.51) MMP2MMP9MMP12SMN1; SMN2MAPT
SCHEMBL7741003 0.84 MMP2 (0.51) MMP2MMP9MMP12RAB9ASMN1; SMN2
SCHEMBL7741007 0.84 MMP2 (0.51) MMP2MMP9MMP12RAB9ASMN1; SMN2
SCHEMBL7740336 0.82 MMP2 (0.57) MMP2MMP9MMP12RAB9ASMN1; SMN2
SCHEMBL7740017 0.82 MMP2 (0.57) MMP2MMP9MMP12RAB9ANPC1

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