SCHEMBL4683961

SCHEMBL4683961

CC(C)NC(=O)Nc1ccc(Oc2ccc(NC(=O)OC(C)(C)C)cc2)c(C(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP2D6 P10635 1/20 0.41
ATM Q13315 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPY5R Q15761 1/20 0.40
MMP2 P08253 1/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PPARG P37231 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPK14 Q16539 1/20 0.38
ALDH1A1 P00352 1/20 0.38
IDO1 P14902 2/20 0.38
TBXA2R P21731 1/20 0.38

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
SCHEMBL5183410 0.89 PKM (0.50) MAPK1MAPTMEN1POLBKMT2A
SCHEMBL4238948 0.86 PPARG (0.40) MAPK1MAPTATMRECQLNPSR1
SCHEMBL4684325 0.83 MAPK1 (0.43) MAPK1MAPTPOLBKDM4ENPY5R
SCHEMBL5183424 0.82 EPHX1 (0.47) KMT2AALDH1A1TBXA2R
SCHEMBL4743512 0.81 HPGD (0.41) MAPK1MAPTMEN1POLBKMT2A
SCHEMBL5149500 0.80 MEN1 (0.53) MAPK1MAPTMEN1POLBKMT2A
SCHEMBL5170350 0.80 MEN1 (0.48) MAPK1MAPTMEN1KMT2AMMP2
SCHEMBL4740981 0.77 MEN1 (0.54) MAPK1MAPTMEN1POLBKMT2A
SCHEMBL29130752 0.77 AKR1C3 (0.43) MAPTMEN1POLBKMT2AKDM4E
SCHEMBL595376 0.76 ALDH1A1 (0.46) MAPTMEN1POLBKMT2AKDM4E

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
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2007071840-A2 COMPOUNDS BASED ON FOUR AROMATIC RINGS, PREPARATION AND USES THEREOF CEREP (FR) 2007-06-28 WO disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO disclosed