SCHEMBL3922176

SCHEMBL3922176

CC(C)(C)c1cc(CCC(=O)NO)cc(C(C)(C)C)c1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.74
KMT2A Q03164 4/20 0.68
MEN1 O00255 3/20 0.54
ALDH1A1 P00352 3/20 0.53
LMNA P02545 2/20 0.53
AGTR1 P30556 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MAOB P27338 3/20 0.50
MAOA P21397 2/20 0.50
ACHE P22303 1/20 0.47
HDAC2 Q92769 3/20 0.47
HDAC8 Q9BY41 3/20 0.47
HDAC6 Q9UBN7 2/20 0.47
TSHR P16473 2/20 0.46
USP2 O75604 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL39122 0.88 GAA (0.77) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL7248605 0.87 GAA (0.74) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL30732960 0.87 GAA (0.74) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL858464 0.85 GAA (0.76) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL11702602 0.85 GAA (0.72) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL1149914 0.85 GAA (0.86) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL39410 0.85 GAA (0.72) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL3455767 0.85 GAA (1.00) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL8771953 0.85 GAA (0.72) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL315837 0.85 GAA (1.00) GAAKMT2AMEN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7497935-B2 Electrodepositable coating compositions and methods related thereto PPG INDUSTRIES OHIO, INC. (US) 2009-03-03 US disclosed
EP-1781742-A1 ELECTRODEPOSITABLE COATING COMPOSITIONS AND METHODS RELATED THERETO PPG Industries Ohio, Inc. (US) 2007-05-09 EP disclosed
WO-2006026448-A1 ELECTRODEPOSITABLE COATING COMPOSITIONS AND METHODS RELATED THERETO PPG INDUSTRIES OHIO, INC. (US) 2006-03-09 WO disclosed
US-20060042949-A1 Electrodepositable coating compositions and methods related thereto PPG INDUSTRIES OHIO INC. 2006-03-02 US disclosed