SCHEMBL12965631

SCHEMBL12965631

CCCCOC/C=C/C=C/C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.49
ACHE P22303 1/20 0.45
BACE1 P56817 1/20 0.45
PPARA Q07869 1/20 0.42
PTPN1 P18031 2/20 0.41
ATM Q13315 1/20 0.41
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.36
FASN P49327 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL809307 0.87 HCAR2 (0.53) HCAR2ACHEBACE1PTPN1ATM
SCHEMBL898554 0.81 HCAR2 (0.55) HCAR2PTPN1ATM
SCHEMBL11339872 0.81 HCAR2 (0.55) HCAR2PTPN1ATM
SCHEMBL17884756 0.79 ATM (0.45) HCAR2ATMTSHRALDH1A1
Fumaric Acid SCHEMBL5935166 0.78 HCAR2 (0.67) HCAR2ATMTSHRALDH1A1
Maleic Acid SCHEMBL12981050 0.78 HCAR2 (0.67) HCAR2ATMTSHRALDH1A1
SCHEMBL11334920 0.76 HTT (0.43) TSHRALDH1A1
SCHEMBL11334924 0.76 HTT (0.43) TSHRALDH1A1
SCHEMBL15750729 0.75 HCAR2 (0.50) HCAR2PTPN1ATMKDM4ETSHR
SCHEMBL11155795 0.75 PPARA (0.58) ACHEBACE1PPARAPTPN1KDM4E

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-2012133861-A1 DIENE AMIDES AND THEIR USE AGAINST ARTHROPODS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 WO disclosed