SCHEMBL7734878

SCHEMBL7734878

O=C(NCCC(Cc1ccc2ccccc2c1)C(=O)NO)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.50
PPARA Q07869 3/20 0.50
EPHX2 P34913 1/20 0.50
MMP1 P03956 2/20 0.48
PPARD Q03181 1/20 0.48
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MMP2 P08253 1/20 0.46

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
SCHEMBL7742604 0.89 PPARG (0.56) PPARGPPARAEPHX2MMP1HDAC2
SCHEMBL13103503 0.86 MMP13 (0.55) PPARGPPARAEPHX2MMP1PPARD
SCHEMBL7735088 0.86 MMP13 (0.55) PPARGPPARAEPHX2MMP1PPARD
SCHEMBL7741169 0.84 MAPK14 (0.61) PPARGPPARAEPHX2MMP1HDAC2
SCHEMBL7740519 0.82 TRPV1 (0.49) PPARGPPARAEPHX2MMP1CA12
SCHEMBL7742553 0.82 MMP13 (0.53) PPARGPPARAEPHX2MMP1CA12
SCHEMBL13103422 0.80 MMP13 (0.53) PPARGPPARAEPHX2MMP1PPARD
SCHEMBL7735121 0.79 MMP2 (0.55) PPARGPPARAEPHX2MMP1HDAC3
SCHEMBL7742557 0.79 MAPK14 (0.61) PPARGPPARAEPHX2MMP1CA12
SCHEMBL14094945 0.76 MMP2 (0.62) PPARGPPARAEPHX2MMP1HDAC3

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
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