SCHEMBL7741123

SCHEMBL7741123

COCOCC(CC(Cc1cccnc1)C(=O)NO)NC(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 5/20 0.48
MMP2 P08253 4/20 0.48
MMP12 P39900 4/20 0.48
GPR132 Q9UNW8 4/20 0.44
MMP13 P45452 2/20 0.43
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
GAA P10253 1/20 0.41
ECE1 P42892 1/20 0.40
NAMPT P43490 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
CMKLR2 P46091 1/20 0.39
CMKLR1 Q99788 1/20 0.39
MMP8 P22894 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 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
SCHEMBL7741125 1.00 MMP9 (0.48) MMP9MMP2MMP12GPR132MMP13
SCHEMBL7741137 0.91 MMP2 (0.54) MMP9MMP2MMP12MMP13RAB9A
SCHEMBL7740533 0.91 MMP2 (0.54) MMP9MMP2MMP12MMP13RAB9A
SCHEMBL7734666 0.91 MMP2 (0.54) MMP9MMP2MMP12MMP13RAB9A
SCHEMBL7734671 0.91 MMP2 (0.54) MMP9MMP2MMP12MMP13RAB9A
SCHEMBL7734755 0.91 MMP2 (0.50) MMP9MMP2MMP12GPR132MMP13
SCHEMBL7734752 0.91 MMP2 (0.50) MMP9MMP2MMP12GPR132MMP13
SCHEMBL7741080 0.86 GAA (0.48) MMP9MMP2GPR132NPC1RAB9A
SCHEMBL7741077 0.86 GAA (0.48) MMP9MMP2GPR132NPC1RAB9A
SCHEMBL7740988 0.85 KMT2A (0.39) GPR132NPC1RAB9AGAAECE1

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