SCHEMBL7189404

SCHEMBL7189404

CCOC(=O)COCc1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
LMNA P02545 2/20 0.51
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 3/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
TSHR P16473 2/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
PARP10 Q53GL7 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPT P10636 1/20 0.44
PGR P06401 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
PTGS1 P23219 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
SCHEMBL24762616 0.85 LMNA (0.52) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL134991 0.81 LMNA (0.56) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL30858931 0.81 LMNA (0.56) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL1903216 0.81 GRM5 (0.45) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL359708 0.79 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL3432856 0.78 SYK (0.46) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL22923051 0.78 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL4341122 0.78 LMNA (0.57) SMN1; SMN2LMNAALDH1A1KDM4ETSHR
SCHEMBL741038 0.78 PARP10 (0.56) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL12320823 0.78 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6579902-B1 Antibiotic; ethoxy-carbamic acid 3'-ester of N-(7-((6-deoxy-5-C-methyl-4-O- methyl-alpha-L-lyxo-hexopyranosyl)oxy)-4-hydroxy-8-methyl-2-oxo-2H-1 -benzopyran-3-yl)-benzeneacetamide AVENTIS PHARMA S.A. (FR) 2003-06-17 US disclosed