SCHEMBL7740329

SCHEMBL7740329

COCOCC(CC(C)C(=O)NO)NC(=O)c1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.57
MMP9 P14780 4/20 0.57
MMP12 P39900 4/20 0.57
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 2/20 0.46
HDAC1 Q13547 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
ADAM17 P78536 1/20 0.37
PIN1 Q13526 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TSHR P16473 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37

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
SCHEMBL7740336 1.00 MMP2 (0.57) MMP2MMP9MMP12ALDH1A1RAB9A
SCHEMBL7740015 0.91 MMP2 (0.57) MMP2MMP9MMP12ALDH1A1RAB9A
SCHEMBL7740017 0.91 MMP2 (0.57) MMP2MMP9MMP12ALDH1A1RAB9A
SCHEMBL5998380 0.89 MMP2 (0.73) MMP2MMP9MMP12ALDH1A1TAS1R3
SCHEMBL7741157 0.89 MMP2 (0.55) MMP2MMP9MMP12RAB9AHDAC1
SCHEMBL7741151 0.89 MMP2 (0.55) MMP2MMP9MMP12RAB9AHDAC1
SCHEMBL5998377 0.89 MMP2 (0.73) MMP2MMP9MMP12ALDH1A1TAS1R3
SCHEMBL7739858 0.87 MMP2 (0.69) MMP2MMP9MMP12ALDH1A1RAB9A
SCHEMBL7739862 0.87 MMP2 (0.69) MMP2MMP9MMP12ALDH1A1RAB9A
SCHEMBL7741003 0.87 MMP2 (0.51) MMP2MMP9MMP12ALDH1A1RAB9A

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