SCHEMBL6746176

SCHEMBL6746176

CC(C)(C)OC(=O)Nc1ccc(NC(=O)O)c(C=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA9 Q16790 1/20 0.49
CYP17A1 P05093 3/20 0.42
MAPK14 Q16539 1/20 0.41
MAP4K4 O95819 1/20 0.40
ACSS2 Q9NR19 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
PSMB8 P28062 1/20 0.38
NAMPT P43490 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NR1I3 Q14994 1/20 0.38
BRD9 Q9H8M2 1/20 0.37

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
SCHEMBL5425869 0.93 CA12 (0.49) CA12CA1CA9CYP17A1MAPK14
SCHEMBL17903007 0.85 CA12 (0.55) CA12CA1CA9CYP17A1MAPK14
SCHEMBL6338283 0.84 CA12 (0.46) CA12CA1CA9CYP17A1MAPK14
SCHEMBL29956441 0.83 HPGD (0.46) CA12CA1CA9CYP17A1ALDH1A1
SCHEMBL3292146 0.83 HPGD (0.46) CA12CA1CA9CYP17A1ALDH1A1
SCHEMBL24690021 0.82 CA12 (0.46) CA12CA1CA9CYP17A1MAPK14
SCHEMBL2981356 0.82 CA12 (0.49) CA12CA1CA9CYP17A1MAPK14
SCHEMBL31192035 0.82 CA12 (0.49) CA12CA1CA9CYP17A1MAPK14
SCHEMBL9938177 0.81 CA12 (0.46) CA12CA1CA9CYP17A1MAPK14
SCHEMBL10013751 0.81 CA12 (0.48) CA12CA1CA9CYP17A1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6699296-B2 Mixture containing phenylenediamine developer WELLA AKTIENGESELLSCHAFT (DE) 2004-03-02 US disclosed
US-20030145764-A1 P-diaminobenzene derivatives and dyes containing said compounds WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2003-08-07 US disclosed