SCHEMBL7742564

SCHEMBL7742564

O=C(O)CCCNC(=O)c1ccc(-c2ccc(O)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.68
PPARG P37231 1/20 0.63
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
HDAC1 Q13547 4/20 0.57
HDAC3 O15379 2/20 0.57
HDAC4 P56524 2/20 0.57
HDAC7 Q8WUI4 2/20 0.57
HDAC2 Q92769 2/20 0.57
HDAC10 Q969S8 2/20 0.57
HDAC11 Q96DB2 2/20 0.57
HDAC8 Q9BY41 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
HDAC9 Q9UKV0 2/20 0.57
HDAC5 Q9UQL6 2/20 0.57
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
HPGD P15428 1/20 0.56
MAPK8 P45983 1/20 0.55
CYP1A2 P05177 1/20 0.55

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
SCHEMBL23794423 0.95 MAPK1 (0.74) MAPK1PPARGCA1CA2HDAC1
SCHEMBL30432125 0.90 MAPK1 (0.83) MAPK1CA1CA2HDAC1HDAC3
SCHEMBL5658185 0.89 MAPK1 (0.87) MAPK1CA1CA2HDAC1HDAC3
SCHEMBL11529762 0.89 PPARG (0.72) MAPK1PPARGCA1CA2HDAC1
SCHEMBL9717451 0.88 MAPK1 (0.85) MAPK1PPARGCA1CA2KDM4E
SCHEMBL7739875 0.86 MAPK1 (0.66) MAPK1PPARGCA1CA2HDAC1
SCHEMBL3211210 0.84 CA1 (0.63) MAPK1CA1CA2HDAC1HDAC3
SCHEMBL7740903 0.84 HDAC1 (0.81) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL8409855 0.83 MAPK1 (0.62) MAPK1PPARGCA1CA2MAPK8
SCHEMBL6387697 0.83 MAPK1 (0.81) MAPK1PPARGHDAC1HDAC3HDAC4

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