SCHEMBL7742550

SCHEMBL7742550

O=C(O)CCCNC(=O)c1ccc(/C=C/c2ccc(Cl)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.60
FABP4 P15090 1/20 0.60
HDAC3 O15379 1/20 0.58
HDAC4 P56524 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC11 Q96DB2 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
HDAC9 Q9UKV0 1/20 0.58
HDAC5 Q9UQL6 1/20 0.58
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CYP1A2 P05177 2/20 0.53
TSHR P16473 1/20 0.53
NFKB1 P19838 1/20 0.53
MAOB P27338 1/20 0.53
KMT2A Q03164 2/20 0.51

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
SCHEMBL7742552 1.00 MAPK1 (0.60) MAPK1FABP4HDAC3HDAC4HDAC1
SCHEMBL11321936 0.91 MAPK1 (0.72) MAPK1FABP4HDAC3HDAC4HDAC1
SCHEMBL7734658 0.87 HDAC1 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7734655 0.87 HDAC1 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7739875 0.87 MAPK1 (0.66) MAPK1FABP4HDAC3HDAC4HDAC1
SCHEMBL10099574 0.85 MAPK1 (0.84) MAPK1FABP4HDAC3HDAC4HDAC1
SCHEMBL5659485 0.85 MAPK1 (0.84) MAPK1FABP4HDAC3HDAC4HDAC1
SCHEMBL9717451 0.83 MAPK1 (0.85) MAPK1FABP4CA1CA2CYP1A2
SCHEMBL5625471 0.81 CYP1A2 (0.66) MAPK1FABP4HDAC3HDAC4HDAC1
SCHEMBL7740786 0.81 HDAC4 (0.50) FABP4HDAC4HDAC1CYP1A2TSHR

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