SCHEMBL6536264

SCHEMBL6536264

Cc1ccc(OC(C)(N)C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 3/20 0.44
PPARG P37231 4/20 0.43
PPARD Q03181 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
FABP2 P12104 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL27564325 0.84 ALDH1A1 (0.45) PPARAMAPTMEN1KMT2ACYP1A2
SCHEMBL11275737 0.84 ALDH1A1 (0.45) PPARAMAPTMEN1KMT2ACYP1A2
SCHEMBL1045831 0.80 PPARA (0.69) PPARAMAPTMEN1KMT2ACYP1A2
SCHEMBL23605988 0.76 L3MBTL1 (0.49) PPARAMAPTMEN1KMT2ACYP1A2
SCHEMBL4033102 0.76 PPARA (0.62) PPARAMAPTMEN1KMT2ACYP1A2
SCHEMBL4036305 0.76 PPARA (0.62) PPARAMAPTMEN1KMT2ACYP1A2
SCHEMBL25097554 0.74 CA1 (0.46) MAPTMEN1KMT2ACYP3A4LMNA
SCHEMBL3948925 0.74 PPARA (0.47) PPARAMAPTMEN1KMT2ACYP1A2
SCHEMBL23519394 0.74 LMNA (0.45) PPARAMAPTMEN1KMT2ACYP1A2
SCHEMBL3988308 0.74 PPARA (0.47) PPARAMAPTMEN1KMT2ACYP1A2

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-1320573-A4 BLACK AZO DYES LEXMARK INT INC (US) 2004-07-28 EP disclosed
EP-1320573-A1 BLACK AZO DYES Lexmark International, Inc. (US) 2003-06-25 EP disclosed
WO-2002016502-A1 BLACK AZO DYES LEXMARK INTERNATIONAL, INC. (US) 2002-02-28 WO disclosed