SCHEMBL6253105

SCHEMBL6253105

C=C(CCCCOC(=O)NC)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.55
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CYP2D6 P10635 1/20 0.43
CHRM1 P11229 1/20 0.43
NFKB1 P19838 1/20 0.43
CHRM3 P20309 1/20 0.43
MAPK1 P28482 1/20 0.43
CHRNA7 P36544 1/20 0.43
LMNA P02545 1/20 0.42
APEX1 P27695 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ACHE P22303 7/20 0.37
EPHX2 P34913 2/20 0.35
TBXAS1 P24557 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 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
SCHEMBL6249673 0.95 EPHX1 (0.52) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL6251963 0.87 CHRNB2 (0.47) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL6250767 0.83 ACHE (0.46) EPHX1CHRNB2CHRNA4ACHEEPHX2
SCHEMBL6252109 0.81 ACHE (0.49) EPHX1CHRNB2CHRNA4ACHEEPHX2
SCHEMBL10817110 0.78 EPHX1 (0.83) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL10812052 0.78 EPHX1 (0.83) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL10817551 0.78 EPHX1 (0.83) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL10812071 0.78 EPHX1 (0.83) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL14067802 0.78 EPHX1 (0.83) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL6250594 0.77 ACHE (0.43) CHRNB2CHRNA4ACHEEPHX2

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