SCHEMBL6251443

SCHEMBL6251443

CNC(=O)OCCCC/C=C(\C)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.51
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CYP2D6 P10635 1/20 0.41
CHRM1 P11229 1/20 0.41
NFKB1 P19838 1/20 0.41
CHRM3 P20309 1/20 0.41
MAPK1 P28482 1/20 0.41
CHRNA7 P36544 1/20 0.41
LMNA P02545 1/20 0.40
APEX1 P27695 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EPHX2 P34913 2/20 0.37
ACHE P22303 6/20 0.35
FAAH O00519 1/20 0.34
EP300 Q09472 1/20 0.33

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
SCHEMBL6253612 0.95 EPHX1 (0.49) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL6253615 0.95 EPHX1 (0.49) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL6249670 0.88 CHRNB2 (0.44) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL6249674 0.88 CHRNB2 (0.44) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL6252113 0.84 EPHX2 (0.44) CHRNB2CHRNA4EPHX2ACHE
SCHEMBL6252104 0.84 EPHX2 (0.44) CHRNB2CHRNA4EPHX2ACHE
SCHEMBL27220948 0.83 EPHX2 (0.35) EPHX1NFKB1LMNAEPHX2ACHE
SCHEMBL27220952 0.80 ACHE (0.64) EPHX2ACHE
SCHEMBL195759 0.80 FAAH (0.43) LMNASMN1; SMN2EPHX2FAAHEP300
SCHEMBL6250929 0.79 LMNA (0.39) CHRNB2CHRNA4CHRM2CHRM4CHRM5

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-2005047234-A1 METHOD FOR PRODUCING CARBAMATE GROUP-CONTAINING (METH)ACRYLIC ESTERS Röhm GmbH & Co. KG (DE) 2005-05-26 WO disclosed