SCHEMBL7643928

SCHEMBL7643928

CCCCNC(=O)C[C@H]1CN(Cc2ccc(OC)c(OC)c2)C(=O)[C@H](CC(C)C)N1C(=O)NC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.42
EPHX1 P07099 1/20 0.42
POLB P06746 2/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CTSD P07339 4/20 0.39
GAA P10253 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL7645521 1.00 KMT2A (0.43) KMT2AMEN1EPHX1POLBRECQL
SCHEMBL7645517 1.00 KMT2A (0.43) KMT2AMEN1EPHX1POLBRECQL
SCHEMBL7544156 0.89 KMT2A (0.42) KMT2AMEN1POLBALDH1A1NPSR1
SCHEMBL7639660 0.89 KMT2A (0.42) KMT2AMEN1POLBALDH1A1NPSR1
SCHEMBL7642333 0.89 KMT2A (0.42) KMT2AMEN1POLBALDH1A1NPSR1
SCHEMBL7639665 0.89 KMT2A (0.42) KMT2AMEN1POLBALDH1A1NPSR1
SCHEMBL7550028 0.88 KMT2A (0.46) KMT2AMEN1EPHX1POLBRECQL
SCHEMBL7543076 0.88 KMT2A (0.46) KMT2AMEN1EPHX1POLBRECQL
SCHEMBL7543080 0.88 KMT2A (0.46) KMT2AMEN1EPHX1POLBRECQL
SCHEMBL7541940 0.88 KMT2A (0.46) KMT2AMEN1EPHX1POLBRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6462046-B2 NON-THIAZOLIDINEDIONE PPARGAMMA AGONISTS; USEFUL IN MODULATION OF BLOOD GLUCOSE AND THE INCREASE OF INSULIN SENSITIVITY IN MAMMALS ADVANCED SYNTECH, LLC 2002-10-08 US claimed
US-6462046-B2 NON-THIAZOLIDINEDIONE PPARGAMMA AGONISTS; USEFUL IN MODULATION OF BLOOD GLUCOSE AND THE INCREASE OF INSULIN SENSITIVITY IN MAMMALS ADVANCED SYNTECH, LLC 2002-10-08 US disclosed