SCHEMBL6813574

SCHEMBL6813574

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

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APP P05067 13/20 0.80
CYP1A2 P05177 1/20 0.53
USP2 O75604 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
PLEC Q15149 1/20 0.40
SNCA P37840 1/20 0.40
ESR1 P03372 3/20 0.40
ESR2 Q92731 3/20 0.40
PDE4D Q08499 1/20 0.39
L3MBTL1 Q9Y468 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
Acetic Acid SCHEMBL233000 0.91 APP (0.86) APPCYP1A2USP2MEN1POLB
SCHEMBL8066 0.89 APP (1.00) APPCYP1A2USP2MEN1POLB
SCHEMBL7113427 0.88 APP (0.97) APPCYP1A2USP2MEN1POLB
SCHEMBL1095367 0.88 APP (0.97) APPCYP1A2USP2MEN1POLB
SCHEMBL29456578 0.88 APP (0.97) APPCYP1A2USP2MEN1POLB
Ammonia Solution, Strong SCHEMBL29419058 0.88 APP (0.97) APPCYP1A2USP2MEN1POLB
Propionic Acid SCHEMBL21043899 0.88 APP (0.80) APPCYP1A2USP2MEN1POLB
Propionic Acid SCHEMBL21043901 0.88 APP (0.80) APPCYP1A2USP2MEN1POLB
Methoxymethane SCHEMBL2784008 0.87 APP (0.89) APPCYP1A2USP2MEN1POLB
Alcohol SCHEMBL6810203 0.86 APP (0.86) APPCYP1A2USP2MEN1POLB

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