SCHEMBL7740323

SCHEMBL7740323

C=C(c1ccncc1)c1ccc(C(=O)NC(COCOC)CC(C)C(=O)NO)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.46
MMP9 P14780 4/20 0.46
MMP12 P39900 4/20 0.46
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
NAMPT P43490 2/20 0.35
MMP13 P45452 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
ROCK2 O75116 6/20 0.34
ROCK1 Q13464 6/20 0.34
PRKG1 Q13976 5/20 0.34
RPS6KA5 O75582 4/20 0.34
PRKACA P17612 4/20 0.34
MAPK1 P28482 4/20 0.34
GSK3A P49840 4/20 0.34

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
SCHEMBL7740331 0.88 KDM1A (0.46) MMP2MMP9MMP12TAS1R3TAS1R1
SCHEMBL7740338 0.88 KDM1A (0.46) MMP2MMP9MMP12TAS1R3TAS1R1
SCHEMBL7741007 0.83 MMP2 (0.51) MMP2MMP9MMP12TAS1R3TAS1R1
SCHEMBL7741003 0.83 MMP2 (0.51) MMP2MMP9MMP12TAS1R3TAS1R1
SCHEMBL7740017 0.81 MMP2 (0.57) MMP2MMP9MMP12ALDH1A1RAB9A
SCHEMBL7740336 0.81 MMP2 (0.57) MMP2MMP9MMP12TSHRTAS1R3
SCHEMBL7740329 0.81 MMP2 (0.57) MMP2MMP9MMP12TSHRTAS1R3
SCHEMBL7740015 0.81 MMP2 (0.57) MMP2MMP9MMP12ALDH1A1RAB9A
SCHEMBL7734696 0.81 MMP2 (0.48) MMP2MMP9MMP12TAS1R3TAS1R1
SCHEMBL7735094 0.81 MMP2 (0.62) MMP2MMP9MMP12L3MBTL1TAS1R3

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