SCHEMBL7742604

SCHEMBL7742604

O=C(NCCC(Cc1ccccc1)C(=O)NO)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.56
PPARA Q07869 2/20 0.56
EPHX2 P34913 1/20 0.56
HPGD P15428 1/20 0.54
MMP1 P03956 1/20 0.54
MMP2 P08253 4/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPK14 Q16539 3/20 0.48
LMNA P02545 1/20 0.48
CYP3A4 P08684 1/20 0.48
HTT P42858 1/20 0.48
MMP13 P45452 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48

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
SCHEMBL7741169 0.92 MAPK14 (0.61) PPARGPPARAEPHX2HPGDMMP1
SCHEMBL7742553 0.90 MMP13 (0.53) PPARGPPARAEPHX2HPGDMMP1
SCHEMBL7735088 0.90 MMP13 (0.55) PPARGPPARAEPHX2HPGDMMP1
SCHEMBL13103503 0.90 MMP13 (0.55) PPARGPPARAEPHX2HPGDMMP1
SCHEMBL7734878 0.89 PPARG (0.50) PPARGPPARAEPHX2HPGDMMP1
SCHEMBL7735121 0.85 MMP2 (0.55) PPARGPPARAEPHX2HPGDMMP1
SCHEMBL7742557 0.85 MAPK14 (0.61) PPARGPPARAEPHX2HPGDMMP1
SCHEMBL7740519 0.84 TRPV1 (0.49) PPARGPPARAEPHX2HPGDMMP1
SCHEMBL13103422 0.83 MMP13 (0.53) PPARGPPARAEPHX2MMP1CA1
SCHEMBL14094945 0.81 MMP2 (0.62) PPARGPPARAEPHX2HPGDMMP1

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 6 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
CN-1282319-A Aminobutanoic acid derivatives ONO PHARMACEUTICAL CO (JP) 2001-01-31 CN 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
CN-1282319-A Aminobutanoic acid derivatives ONO PHARMACEUTICAL CO (JP) 2001-01-31 CN disclosed
EP-1024134-A1 AMINOBUTANOIC ACID DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-08-02 EP disclosed