T-Butylacetic Acid

T-Butylacetic Acid

SCHEMBL6809308

CC(C)(C)CC(=O)O.O=c1ccc2nc3ccc(O)cc3oc-2c1

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APP P05067 13/20 0.73
CYP1A2 P05177 1/20 0.52
ESR1 P03372 3/20 0.37
ESR2 Q92731 3/20 0.37
USP2 O75604 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
PLEC Q15149 1/20 0.37
SNCA P37840 1/20 0.37
PDE4D Q08499 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
Propionic Acid SCHEMBL21043899 0.88 APP (0.80) APPCYP1A2ESR1ESR2USP2
Propionic Acid SCHEMBL21043901 0.88 APP (0.80) APPCYP1A2ESR1ESR2USP2
Acetic Acid SCHEMBL233000 0.87 APP (0.86) APPCYP1A2ESR1ESR2USP2
T-Butylacetic Acid SCHEMBL6809312 0.86 APP (0.51) APPCYP1A2MEN1POLBKMT2A
Bromoacetic Acid SCHEMBL1896727 0.86 APP (0.80) APPCYP1A2ESR1ESR2USP2
SCHEMBL8066 0.85 APP (1.00) APPCYP1A2ESR1ESR2USP2
Butyric Acid SCHEMBL381472 0.85 APP (0.74) APPCYP1A2ESR1ESR2USP2
Alcohol SCHEMBL6810203 0.84 APP (0.86) APPCYP1A2ESR1ESR2USP2
Levulinic Acid SCHEMBL8512310 0.84 APP (0.73) APPCYP1A2ESR1ESR2USP2
Sarcosine SCHEMBL9810244 0.84 APP (0.73) APPCYP1A2ESR1ESR2USP2

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-20040014161-A1 pH-indicator based assay for selective enzymes THERMOGEN, INC. 2004-01-22 US disclosed
US-20020177180-A1 pH-indicator based assay for selective enzymes THERMOGEN, INC. 2002-11-28 US disclosed
EP-1090139-A1 PH-INDICATOR BASED ASSAY FOR SELECTIVE ENZYMES Thermogen, Inc. (US) 2001-04-11 EP disclosed
WO-1999067420-A1 pH-INDICATOR BASED ASSAY FOR SELECTIVE ENZYMES THERMOGEN, INC. (US) 1999-12-29 WO disclosed