SCHEMBL6965266

SCHEMBL6965266

CC(=O)NCCc1ccc(OC(C)=O)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.73
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
KDM4E B2RXH2 2/20 0.64
F13A1 P00488 1/20 0.64
ACACB O00763 4/20 0.60
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 1/20 0.55
CACNA1B Q00975 1/20 0.55
APBA1 Q02410 1/20 0.55
KMT2A Q03164 1/20 0.55
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
PTGS1 P23219 1/20 0.54
BLM P54132 1/20 0.54
HIF1A Q16665 1/20 0.54
HSD17B10 Q99714 1/20 0.54
GAA P10253 1/20 0.51
TAAR1 Q96RJ0 1/20 0.51

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
SCHEMBL19668112 0.87 SMN1; SMN2 (0.69) SMN1; SMN2NPC1RAB9AKDM4EF13A1
SCHEMBL9975933 0.85 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9AKDM4EF13A1
SCHEMBL20380008 0.85 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9AKDM4EF13A1
SCHEMBL10592850 0.85 KDM4E (0.84) SMN1; SMN2KDM4EF13A1ACACBALDH1A1
SCHEMBL659053 0.84 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9AKDM4EF13A1
SCHEMBL28777913 0.84 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL9081470 0.83 LMNA (0.61) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL1629783 0.83 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AKDM4EF13A1
SCHEMBL10568565 0.82 KMT2A (0.58) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL15926905 0.82 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AKDM4EF13A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015444-B1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP LTD (KR) 2003-05-28 EP disclosed
US-6352993-B1 ANTIULCER AGENTS YUHAN CORPORATION (KR) 2002-03-05 US disclosed
EP-1015444-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION, LTD. (KR) 2000-07-05 EP disclosed
WO-1998043968-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 1998-10-08 WO disclosed