SCHEMBL7739552

SCHEMBL7739552

CCOc1cccc(-c2ccc(C(=O)N[C@H](COCOC)C[C@H](C)C(=O)NO)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.48
MMP9 P14780 4/20 0.48
MMP12 P39900 4/20 0.48
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
F10 P00742 3/20 0.43
F2 P00734 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ROCK1 Q13464 5/20 0.40
ROCK2 O75116 4/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
DYRK3 O43781 1/20 0.39
PRKACA P17612 1/20 0.39

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
SCHEMBL7739549 1.00 MMP2 (0.48) MMP2MMP9MMP12RXRARXRB
SCHEMBL7741283 0.91 MMP2 (0.51) MMP2MMP9MMP12TAS1R3TAS1R1
SCHEMBL7741290 0.91 MMP2 (0.51) MMP2MMP9MMP12TAS1R3TAS1R1
SCHEMBL7735123 0.88 MMP2 (0.63) MMP2MMP9MMP12ALDH1A1
SCHEMBL7735126 0.88 MMP2 (0.63) MMP2MMP9MMP12ALDH1A1
SCHEMBL7740015 0.87 MMP2 (0.57) MMP2MMP9MMP12CYP3A4ALDH1A1
SCHEMBL7740017 0.87 MMP2 (0.57) MMP2MMP9MMP12CYP3A4ALDH1A1
SCHEMBL7740518 0.85 MMP2 (0.52) MMP2MMP9MMP12HDAC6
SCHEMBL7740514 0.85 MMP2 (0.52) MMP2MMP9MMP12HDAC6
SCHEMBL7739858 0.84 MMP2 (0.69) MMP2MMP9MMP12CYP3A4ALDH1A1

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