SCHEMBL7643069

SCHEMBL7643069

CNC(=O)C[C@H]1CN(Cc2cc(OC)cc(OC)c2)C(=O)[C@H](CC(C)C)N1C(=O)NC1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
ABCG2 Q9UNQ0 2/20 0.36
SIGMAR1 Q99720 1/20 0.35
EPHX2 P34913 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
APP P05067 1/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL7645479 1.00 KMT2A (0.45) KMT2AMEN1ABCG2SIGMAR1EPHX2
SCHEMBL7645477 1.00 KMT2A (0.45) KMT2AMEN1ABCG2SIGMAR1EPHX2
SCHEMBL7550661 0.99 KMT2A (0.46) KMT2AMEN1ABCG2SIGMAR1EPHX2
SCHEMBL7643039 0.99 KMT2A (0.46) KMT2AMEN1ABCG2SIGMAR1EPHX2
SCHEMBL7639653 0.99 KMT2A (0.46) KMT2AMEN1ABCG2SIGMAR1EPHX2
SCHEMBL7550660 0.99 KMT2A (0.46) KMT2AMEN1ABCG2SIGMAR1EPHX2
SCHEMBL7643036 0.99 KMT2A (0.46) KMT2AMEN1ABCG2SIGMAR1EPHX2
SCHEMBL7550960 0.91 KMT2A (0.44) KMT2AMEN1ABCG2SIGMAR1EPHX2
SCHEMBL7550962 0.91 KMT2A (0.44) KMT2AMEN1ABCG2SIGMAR1EPHX2
SCHEMBL7545820 0.91 KMT2A (0.43) KMT2AMEN1ABCG2SIGMAR1APP

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 3 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
WO-2002053546-A1 HETEROCYCLE DERIVATIVES AS PPAR-GAMMA AGONISTS ADVANCED SYNTECH, LLC (US) 2002-07-11 WO disclosed