SCHEMBL7740015

SCHEMBL7740015

COCOCC(CC(C)C(=O)NO)NC(=O)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.57
MMP9 P14780 4/20 0.57
MMP12 P39900 4/20 0.57
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CTSB P07858 3/20 0.44
MME P08473 1/20 0.43
MMEL1 Q495T6 1/20 0.43
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP26A1 O43174 3/20 0.41
HPGDS O60760 1/20 0.40
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40

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
SCHEMBL7740017 1.00 MMP2 (0.57) MMP2MMP9MMP12NPC1RAB9A
SCHEMBL7739858 0.93 MMP2 (0.69) MMP2MMP9MMP12NPC1RAB9A
SCHEMBL7739862 0.93 MMP2 (0.69) MMP2MMP9MMP12NPC1RAB9A
SCHEMBL7740336 0.91 MMP2 (0.57) MMP2MMP9MMP12RAB9ACTSB
SCHEMBL7740329 0.91 MMP2 (0.57) MMP2MMP9MMP12RAB9ACTSB
SCHEMBL7734696 0.90 MMP2 (0.48) MMP2MMP9MMP12
SCHEMBL7734698 0.90 MMP2 (0.48) MMP2MMP9MMP12
SCHEMBL7740514 0.90 MMP2 (0.52) MMP2MMP9MMP12CTSBCTSL
SCHEMBL7740518 0.90 MMP2 (0.52) MMP2MMP9MMP12CTSBCTSL
SCHEMBL7741151 0.89 MMP2 (0.55) MMP2MMP9MMP12NPC1RAB9A

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