SCHEMBL5204322

SCHEMBL5204322

CCOC(=O)CCCNc1ccc(CC(=O)OCC)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.59
LMNA P02545 3/20 0.50
TOP2A P11388 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP4Z1 Q86W10 3/20 0.48
EPHX2 P34913 1/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LTA4H P09960 1/20 0.46
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
POLB P06746 1/20 0.45
TP53 P04637 1/20 0.45
PDE5A O76074 1/20 0.44
ELANE P08246 1/20 0.44
CYP4F11 Q9HBI6 1/20 0.44
CYP4F12 Q9HCS2 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL5458743 0.90 MAPT (0.60) MAPTLMNASMN1; SMN2CYP4Z1KDM4E
SCHEMBL11460602 0.87 MAPT (0.55) MAPTLMNASMN1; SMN2CYP4Z1EPHX2
SCHEMBL14570539 0.86 TOP2A (0.53) MAPTLMNATOP2ASMN1; SMN2KDM4E
SCHEMBL11473930 0.86 MAPT (0.63) MAPTLMNASMN1; SMN2CYP4Z1KDM4E
SCHEMBL7106134 0.86 CYP4F2 (0.66) MAPTTOP2ACYP4Z1KDM4EALDH1A1
SCHEMBL4592870 0.85 CYP4A11 (0.56) MAPTTOP2ACYP4Z1KDM4EALDH1A1
SCHEMBL23673315 0.84 MAPT (0.51) MAPTLMNATOP2AKDM4EALDH1A1
SCHEMBL15383209 0.84 MAPT (0.57) MAPTTOP2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL23673305 0.84 TOP2A (0.51) MAPTTOP2AKDM4EALDH1A1HSD17B10
SCHEMBL4823915 0.84 TOP2A (0.51) MAPTLMNATOP2AKDM4EALDH1A1

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-7160887-B1 Aromatic amine derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-09 US disclosed
EP-1123918-B1 AROMATIC AMINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME TAKEDA PHARMACEUTICAL (JP) 2005-03-09 EP disclosed
EP-1123918-A1 AROMATIC AMINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME Takeda Chemical Industries, Ltd. (JP) 2001-08-16 EP disclosed