SCHEMBL6573569

SCHEMBL6573569

NC(=O)OC1CCCN1C(=O)C=Cc1cc(N)ccc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PELI1 Q96FA3 3/20 0.40
TRPV1 Q8NER1 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 2/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 2/20 0.33
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
GFER P55789 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
ENPP2 Q13822 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 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
Hydrochloric Acid SCHEMBL6570077 0.99 PELI1 (0.39) PELI1TRPV1SMN1; SMN2KMT2AMAPK1
SCHEMBL6138642 0.90 MAPK1 (0.36) SMN1; SMN2KMT2AMAPK1L3MBTL1DPP4
Hydrochloric Acid SCHEMBL6139164 0.89 MAPK1 (0.35) SMN1; SMN2KMT2AMAPK1L3MBTL1DPP4
SCHEMBL6095866 0.83 PELI1 (0.40) PELI1SMN1; SMN2KMT2AMAPK1L3MBTL1
SCHEMBL6095870 0.83 PELI1 (0.40) PELI1SMN1; SMN2KMT2AMAPK1L3MBTL1
SCHEMBL6572196 0.82 PELI1 (0.40) PELI1SMN1; SMN2KMT2AMAPK1L3MBTL1
Hydrochloric Acid SCHEMBL6095869 0.82 PELI1 (0.39) PELI1SMN1; SMN2KMT2AMAPK1L3MBTL1
Hydrochloric Acid SCHEMBL6095872 0.82 PELI1 (0.39) PELI1SMN1; SMN2KMT2AMAPK1L3MBTL1
SCHEMBL6095131 0.80 ENPP2 (0.45) PELI1KMT2AL3MBTL1ACHEDPP4
Hydrochloric Acid SCHEMBL6095016 0.79 ENPP2 (0.44) PELI1KMT2AL3MBTL1ACHEDPP4

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