SCHEMBL4624347

SCHEMBL4624347

NCC(N)CC(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
MAPK1 P28482 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
SLC15A1 P46059 2/20 0.56
KMT2A Q03164 2/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CDC25B P30305 1/20 0.47
SLC1A3 P43003 2/20 0.45
SLC1A2 P43004 2/20 0.45
SLC1A1 P43005 2/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
TSHR P16473 1/20 0.43

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
Hydrochloric Acid SCHEMBL19511476 0.90 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A
SCHEMBL6822911 0.87 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A
SCHEMBL6822910 0.87 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A
SCHEMBL28116748 0.87 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A
SCHEMBL28704585 0.87 SLC15A1 (0.63) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A
SCHEMBL14119359 0.87 SLC15A1 (0.63) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A
SCHEMBL20364073 0.87 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A
SCHEMBL14823030 0.85 SLC15A1 (0.57) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A
Hydrochloric Acid SCHEMBL15928827 0.85 SLC15A1 (0.62) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A
Hydrochloric Acid SCHEMBL14119062 0.85 SLC15A1 (0.62) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904463-A2 COMPLEXES CONTAINING PERFLUOROALKYL, METHOD FOR THE PRODUCTION AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-02 EP disclosed
WO-2007009638-A2 COMPLEXES CONTAINING PERFLUOROALKYL, METHOD FOR THE PRODUCTION AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-25 WO disclosed
EP-1147076-B1 ACRYLAMIDE DERIVATIVES AND POLYMERS CONTAINING SAID DERIVATIVES OKANO TERUO PROF (JP) 2004-03-31 EP disclosed
US-6495645-B1 INCORPORATING MANY SIDE FUNCTIONAL GROUPS WHILE MAINTAINING SENSITIVE TEMPERATURE RESPONSE Okano, Terou (JP) 2002-12-17 US disclosed
EP-1147076-A1 ACRYLAMIDE DERIVATIVES AND POLYMERS CONTAINING SAID DERIVATIVES Amersham Pharmacia Biotech K.K. (JP) 2001-10-24 EP disclosed
WO-2000043355-A1 ACRYLAMIDE DERIVATIVES AND POLYMERS CONTAINING SAID DERIVATIVES AMERSHAM PHARMACIA BIOTECH K.K. (JP) 2000-07-27 WO disclosed