SCHEMBL7639665

SCHEMBL7639665

CCCCNC(=O)C[C@@H]1CN(Cc2cc(OC)cc(OC)c2)C(=O)[C@@H](CC(C)C)N1C(=O)NC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
MEN1 O00255 3/20 0.41
APP P05067 2/20 0.37
PKM P14618 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL7642333 1.00 KMT2A (0.42) KMT2AMEN1APPPKMCNR1
SCHEMBL7639660 1.00 KMT2A (0.42) KMT2AMEN1APPPKMCNR1
SCHEMBL7544156 1.00 KMT2A (0.42) KMT2AMEN1APPPKMCNR1
SCHEMBL7546331 0.92 KMT2A (0.43) KMT2AMEN1CNR1CNR2ABCG2
SCHEMBL7546336 0.92 KMT2A (0.43) KMT2AMEN1CNR1CNR2ABCG2
SCHEMBL7550960 0.92 KMT2A (0.44) KMT2AMEN1APPABCG2CYP1A2
SCHEMBL7550962 0.92 KMT2A (0.44) KMT2AMEN1APPABCG2CYP1A2
SCHEMBL7639653 0.89 KMT2A (0.46) KMT2AMEN1ABCG2CYP1A2CYP3A4
SCHEMBL7550660 0.89 KMT2A (0.46) KMT2AMEN1ABCG2CYP1A2CYP3A4
SCHEMBL7550661 0.89 KMT2A (0.46) KMT2AMEN1ABCG2CYP1A2CYP3A4

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