SCHEMBL4732392

SCHEMBL4732392

[CH2]CC=C(CCCC)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.41
CES2 O00748 1/20 0.41
APEX1 P27695 1/20 0.41
GRIK1 P39086 1/20 0.40
EP300 Q09472 1/20 0.39
ALDH1A1 P00352 3/20 0.38
AKR1B1 P15121 1/20 0.38
TP53 P04637 1/20 0.38
GPR84 Q9NQS5 7/20 0.37
PPARG P37231 6/20 0.37
PPARD Q03181 6/20 0.37
PPARA Q07869 6/20 0.37
HDAC11 Q96DB2 5/20 0.37
TSHR P16473 4/20 0.37
TLR2 O60603 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
FABP4 P15090 2/20 0.37
PTPN1 P18031 2/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
SLC22A8 Q8TCC7 1/20 0.37

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
SCHEMBL4433665 0.83 GRIK1 (0.47) CES1CES2APEX1GRIK1EP300
SCHEMBL285080 0.83 GRIK1 (0.47) CES1CES2APEX1GRIK1EP300
SCHEMBL7556833 0.83 GRIK1 (0.47) CES1CES2APEX1GRIK1EP300
SCHEMBL4375273 0.81 GRIK1 (0.58) CES1CES2APEX1GRIK1EP300
SCHEMBL7562280 0.81 GRIK1 (0.58) CES1CES2APEX1GRIK1EP300
SCHEMBL7559357 0.81 GRIK1 (0.52) CES1CES2APEX1GRIK1EP300
SCHEMBL984849 0.81 CES1 (0.42) CES1CES2APEX1GRIK1EP300
SCHEMBL811158 0.81 GRIK1 (0.58) CES1CES2APEX1GRIK1EP300
SCHEMBL811600 0.81 GRIK1 (0.52) CES1CES2APEX1GRIK1EP300
SCHEMBL4791448 0.80 APEX1 (0.39) CES1CES2APEX1GRIK1EP300

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008053000-A1 FLOOR COVERING FOR ANIMAL STALLS SIKA TECHNOLOGY AG (CH) 2008-05-08 WO disclosed