SCHEMBL6813575

SCHEMBL6813575

CC(C)C(=O)O.O=c1ccc2nc3ccccc3oc-2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 12/20 0.56
CYP1A2 P05177 1/20 0.49
MAPT P10636 3/20 0.49
KDM4E B2RXH2 2/20 0.49
POLB P06746 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.49
ALPL P05186 1/20 0.49
ALPI P09923 1/20 0.49
ALPG P10696 1/20 0.49
RECQL P46063 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
USP2 O75604 1/20 0.41
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40

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 SCHEMBL233001 0.91 APP (0.59) APPCYP1A2MAPTKDM4EPOLB
SCHEMBL8067 0.87 APP (0.65) APPCYP1A2MAPTKDM4EPOLB
Pivalate SCHEMBL6813805 0.87 APP (0.56) APPCYP1A2MAPTKDM4EPOLB
SCHEMBL1096453 0.86 APP (0.63) APPCYP1A2MAPTKDM4EPOLB
Water SCHEMBL1094033 0.86 APP (0.63) APPCYP1A2MAPTKDM4EPOLB
SCHEMBL6813574 0.85 APP (0.80) APPCYP1A2POLBMEN1KMT2A
Bromoacetic Acid SCHEMBL1896728 0.84 APP (0.56) APPCYP1A2MAPTKDM4EPOLB
Butyric Acid SCHEMBL381473 0.84 APP (0.52) APPCYP1A2MAPTKDM4EPOLB
Phosphoric Acid SCHEMBL307362 0.83 APP (0.61) APPCYP1A2MAPTKDM4EPOLB
T-Butylacetic Acid SCHEMBL6809312 0.83 APP (0.51) APPCYP1A2MAPTKDM4EPOLB

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