SCHEMBL6572196

SCHEMBL6572196

NC(=O)OC1CCCN1C(=O)C=Cc1cc(O)ccc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PELI1 Q96FA3 3/20 0.40
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ENPP2 Q13822 5/20 0.34
PTGS2 P35354 1/20 0.33
HRH3 Q9Y5N1 4/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL6138642 0.90 MAPK1 (0.36) KMT2AMAPK1L3MBTL1ENPP2PTGS2
Hydrochloric Acid SCHEMBL6139164 0.89 MAPK1 (0.35) KMT2AMAPK1L3MBTL1ENPP2PTGS2
SCHEMBL6097380 0.83 DPP4 (0.41) PELI1KMT2AMAPK1L3MBTL1ENPP2
SCHEMBL6097385 0.83 DPP4 (0.41) PELI1KMT2AMAPK1L3MBTL1ENPP2
SCHEMBL6573569 0.82 PELI1 (0.40) PELI1KMT2AMAPK1L3MBTL1ENPP2
Hydrochloric Acid SCHEMBL6570077 0.81 PELI1 (0.39) PELI1KMT2AMAPK1L3MBTL1ENPP2
SCHEMBL6095315 0.80 ENPP2 (0.45) PELI1KMT2AMAPK1L3MBTL1ENPP2
SCHEMBL6096936 0.74 PELI1 (0.62) PELI1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL6096102 0.74 PELI1 (0.47) PELI1L3MBTL1ENPP2PTGS2ALDH1A1
SCHEMBL6096742 0.72 PELI1 (0.48) PELI1L3MBTL1ALDH1A1MAPTKDM4E

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-1286953-B1 (P-AMINO-HYDROXYPHENYL)-ACRYLAMIDE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AG (DE) 2004-02-18 EP disclosed
EP-1286953-A1 (P-AMINO-HYDROXYPHENYL)-ACRYLAMIDE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2003-03-05 EP disclosed
WO-2002079144-A1 (P-AMINO-HYDROXYPHENYL)-ACRYLAMIDE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2002-10-10 WO disclosed