SCHEMBL6571505

SCHEMBL6571505

CCOCOc1ccc(NC(=O)OC(C)(C)C)cc1/C=C/C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GPER1 Q99527 1/20 0.39
PPARG P37231 2/20 0.39
POLB P06746 1/20 0.39
ACSS2 Q9NR19 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KDM4E B2RXH2 3/20 0.38
KMT2A Q03164 2/20 0.38
GLA P06280 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
CREBBP Q92793 1/20 0.36
MEN1 O00255 1/20 0.36
MAP4K4 O95819 1/20 0.36

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
SCHEMBL6097933 1.00 GAA (0.39) GAAALDH1A1GPER1PPARGPOLB
SCHEMBL6097203 0.91 ALDH1A1 (0.41) GAAALDH1A1PPARGACSS2HDAC3
SCHEMBL6096016 0.87 CA12 (0.41) GAAALDH1A1PPARGACSS2HDAC3
SCHEMBL6096438 0.80 MAPT (0.44) GAAALDH1A1PPARGPOLBACSS2
SCHEMBL23497330 0.78 CA12 (0.48) GAAALDH1A1GPER1PPARGACSS2
SCHEMBL6138626 0.78 HDAC3 (0.44) GAAALDH1A1GPER1ACSS2HDAC3
SCHEMBL6138629 0.78 HDAC3 (0.44) GAAALDH1A1GPER1ACSS2HDAC3
SCHEMBL5889010 0.78 ALDH1A1 (0.44) GAAALDH1A1PPARGACSS2HDAC3
SCHEMBL6287850 0.73 AAK1 (0.43) GAAALDH1A1PPARGCA12CA1
SCHEMBL5888968 0.72 HPGD (0.49) ALDH1A1HDAC3HDAC1HDAC2HDAC8

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