SCHEMBL7740119

SCHEMBL7740119

CCOCOCC(CC(Cc1ccccc1)C(=O)NO)NC(=O)c1ccc(Br)s1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
MMP8 P22894 1/20 0.39
KDM4E B2RXH2 1/20 0.38
PIN1 Q13526 2/20 0.38
ACKR3 P25106 1/20 0.37
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
MME P08473 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL7740122 1.00 MAPT (0.40) MAPTMMP8KDM4EPIN1ACKR3
SCHEMBL7740506 0.89 ANPEP (0.39) MAPTMMP8KDM4EHDAC1MEN1
SCHEMBL7740504 0.89 ANPEP (0.39) MAPTMMP8KDM4EHDAC1MEN1
SCHEMBL7740944 0.89 CTSL (0.45) MAPTMMP8KDM4EHDAC3HDAC4
SCHEMBL7740948 0.89 CTSL (0.45) MAPTMMP8KDM4EHDAC3HDAC4
SCHEMBL7734808 0.87 ALDH1A1 (0.37) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL7734802 0.87 ALDH1A1 (0.37) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL7740343 0.85 PIN1 (0.49) MAPTMMP8KDM4EPIN1HDAC3
SCHEMBL7740348 0.85 PIN1 (0.49) MAPTMMP8KDM4EPIN1HDAC3
SCHEMBL7740721 0.84 KMT2A (0.43) MAPTMMP8PIN1MEN1KMT2A

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