SCHEMBL7960522

SCHEMBL7960522

CC(C)CC(C(=O)NN)[C@@H](Cc1ccccc1-c1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MME P08473 1/20 0.40
ACE P12821 1/20 0.40
CPA1 P15085 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
MAPT P10636 6/20 0.39
NPSR1 Q6W5P4 5/20 0.39
POLB P06746 4/20 0.39
REN P00797 3/20 0.39
ATM Q13315 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
MAPK1 P28482 3/20 0.38
RECQL P46063 2/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 1/20 0.38
FCER2 P06734 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MMP1 P03956 1/20 0.36

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
SCHEMBL7839117 1.00 KMT2A (0.41) KMT2AMMEACECPA1ACE2
SCHEMBL7946604 0.85 CTSS (0.47) MMEACECPA1ACE2MAPT
SCHEMBL7840436 0.85 CTSS (0.47) MMEACECPA1ACE2MAPT
SCHEMBL7836648 0.76 MAPT (0.40) KMT2AMAPTNPSR1POLBREN
SCHEMBL7955112 0.76 MAPT (0.40) KMT2AMAPTNPSR1POLBREN
SCHEMBL7827850 0.76 MMP1 (0.46) KMT2AMAPTNPSR1POLBREN
SCHEMBL7836454 0.76 MMP1 (0.46) KMT2AMAPTNPSR1POLBREN
SCHEMBL7853162 0.76 MMP1 (0.46) KMT2AMAPTNPSR1POLBREN
SCHEMBL7853167 0.76 MMP1 (0.46) KMT2AMAPTNPSR1POLBREN
SCHEMBL8107306 0.76 ADAM17 (0.35) KMT2AMAPTNPSR1POLBREN

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6281363-B1 ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; AUTOIMMUNE DISORDERS HOFFMANN-LA ROCHE INC. 2001-08-28 US disclosed