SCHEMBL5818367

SCHEMBL5818367

C=CC(CCCCC)NC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 3/20 0.46
SIRT6 Q8N6T7 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
PLA2G2A P14555 1/20 0.40
FAAH O00519 1/20 0.40
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
CTSK P43235 4/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
GPR84 Q9NQS5 3/20 0.37
FFAR1 O14842 1/20 0.37
CA1 P00915 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ZDHHC7 Q9NXF8 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
SCHEMBL11523628 0.86 PLA2G2C (0.39) PLA2G2CSIRT6SIRT1FAAHTP53
SCHEMBL10417269 0.84 CTSK (0.40) PLA2G2CFAAHTP53MAPTCTSK
SCHEMBL4612120 0.84 GPR84 (0.44) FAAHMAPTZDHHC20ZDHHC2GPR84
SCHEMBL16478000 0.83 CTSK (0.54) PLA2G2CSIRT6SIRT1PLA2G2ACTSK
SCHEMBL6559575 0.81 PLA2G2C (0.42) PLA2G2CMAPTCTSKALDH1A1
SCHEMBL27041595 0.79 CTSK (0.42) PLA2G2CFAAHMAPK1CTSKCA1
SCHEMBL27041593 0.79 CTSK (0.42) PLA2G2CFAAHMAPK1CTSKCA1
SCHEMBL11296644 0.78
SCHEMBL24629598 0.77 ALDH1A1 (0.35) PLA2G2CCYP2D6MAPTCYP2C19ALDH1A1
SCHEMBL5971426 0.77 CTSK (0.60) PLA2G2CCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006087324-A2 METHOD FOR PRODUCING AN N-(1-ARYL-ALK-1-ENYL)-ACETAMIDE OR N-(1-HETEROARYL-ALK-1-ENYL)-ACETAMIDE BASF AKTIENGESELLSCHAFT (DE) 2006-08-24 WO claimed
WO-2006087324-A2 METHOD FOR PRODUCING AN N-(1-ARYL-ALK-1-ENYL)-ACETAMIDE OR N-(1-HETEROARYL-ALK-1-ENYL)-ACETAMIDE BASF AKTIENGESELLSCHAFT (DE) 2006-08-24 WO disclosed