SCHEMBL11397133

SCHEMBL11397133

CCCCC=CCCCCCCCCOC(N)=O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.56
SOAT1 P35610 2/20 0.56
MEN1 O00255 1/20 0.56
TP53 P04637 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 1/20 0.56
LPAR2 Q9HBW0 2/20 0.54
LPAR3 Q9UBY5 2/20 0.54
LPAR1 Q92633 1/20 0.54
F7 P08709 1/20 0.52
F3 P13726 1/20 0.52
KDM4E B2RXH2 2/20 0.51
EPHX2 P34913 2/20 0.49

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
SCHEMBL11393684 1.00 FAAH (0.56) FAAHSOAT1MEN1TP53CYP1A2
SCHEMBL1416618 0.96 FAAH (0.61) FAAHSOAT1MEN1TP53CYP1A2
SCHEMBL4177621 0.96 FAAH (0.61) FAAHSOAT1MEN1TP53CYP1A2
SCHEMBL1416544 0.96 FAAH (0.61) FAAHSOAT1MEN1TP53CYP1A2
SCHEMBL4177624 0.96 FAAH (0.61) FAAHSOAT1MEN1TP53CYP1A2
SCHEMBL1416542 0.96 FAAH (0.61) FAAHSOAT1MEN1TP53CYP1A2
SCHEMBL1416577 0.96 FAAH (0.61) FAAHSOAT1MEN1TP53CYP1A2
SCHEMBL1416574 0.96 FAAH (0.61) FAAHSOAT1MEN1TP53CYP1A2
SCHEMBL1416621 0.96 FAAH (0.61) FAAHSOAT1MEN1TP53CYP1A2
Acetic Acid SCHEMBL28235847 0.93 FAAH (0.54) FAAHSOAT1MEN1TP53CYP1A2

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
EP-0042228-A2 Method of protecting plants from insect pests IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-12-23 EP claimed
EP-0042228-A2 Method of protecting plants from insect pests IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-12-23 EP disclosed