SCHEMBL6380794

SCHEMBL6380794

CCC/C=C(/CC(=O)O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 3/20 0.53
GRIK2 Q13002 2/20 0.53
CPB1 P15086 1/20 0.53
TSHR P16473 2/20 0.48
KDM4E B2RXH2 1/20 0.48
EP300 Q09472 1/20 0.38
CYP2C19 P33261 2/20 0.35
LDHA P00338 1/20 0.35
SRR Q9GZT4 1/20 0.35
FFAR3 O14843 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
RECQL P46063 2/20 0.33
TERT O14746 2/20 0.32
GMNN O75496 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL205304 1.00 GRIK1 (0.53) GRIK1GRIK2CPB1TSHRKDM4E
SCHEMBL205160 0.87 GRIK1 (0.56) GRIK1GRIK2CPB1TSHRKDM4E
SCHEMBL17706793 0.85 EP300 (0.57) GRIK1CPB1TSHRKDM4EEP300
Lithium SCHEMBL31004870 0.85 GRIK1 (0.54) GRIK1GRIK2CPB1TSHRKDM4E
SCHEMBL17706756 0.85 EP300 (0.57) GRIK1CPB1TSHRKDM4EEP300
SCHEMBL206840 0.85 EP300 (0.57) GRIK1CPB1TSHRKDM4EEP300
SCHEMBL31004918 0.85 GRIK1 (0.54) GRIK1GRIK2CPB1TSHRKDM4E
SCHEMBL271144 0.84 EP300 (0.60) GRIK1CPB1EP300CYP2C19RECQL
SCHEMBL205684 0.84 EP300 (0.60) GRIK1CPB1EP300CYP2C19RECQL
SCHEMBL17706807 0.84 EP300 (0.60) GRIK1CPB1EP300CYP2C19RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170275394-A1 MODIFIED POLYVINYL ALCOHOL AND WATER-SOLUBLE FILM KURARAY CO., LTD. (JP) 2017-09-28 US disclosed
EP-1527039-A1 PROCESS FOR PREPARING ALKYLIDENE-SUBSTITUTED-1,4-DIONS DERIVATIVES Basell Poliolefine Italia S.P.A. (IT) 2005-05-04 EP disclosed
EP-1527040-A1 PROCESS FOR PREPARING ALKYLIDENE-SUBSTITUTED-1,4-DIONS DERIVATIVES Basel Poliolefine Italia SpA (IT) 2005-05-04 EP disclosed
WO-2004014838-A1 PROCESS FOR PREPARING ALKYLIDENE-SUBSTITUTED-1,4-DIONS DERIVATIVES BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2004-02-19 WO disclosed
WO-2004014839-A1 PROCESS FOR PREPARING ALKYLIDENE-SUBSTITUTED-1,4-DIONS DERIVATIVES BASEL POLIOLEFINE ITALIA S.P.A. (IT) 2004-02-19 WO disclosed