SCHEMBL5248343

SCHEMBL5248343

CNCCCOCCCOC(=O)NC

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.53
CHRNB2 P17787 2/20 0.46
CHRNA4 P43681 2/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CYP2D6 P10635 1/20 0.46
CHRM1 P11229 1/20 0.46
NFKB1 P19838 1/20 0.46
CHRM3 P20309 1/20 0.46
MAPK1 P28482 1/20 0.46
CHRNA7 P36544 1/20 0.46
LMNA P02545 1/20 0.44
APEX1 P27695 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ACHE P22303 13/20 0.39

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
SCHEMBL5249805 0.92 EPHX1 (0.61) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL5247088 0.86 EPHX1 (0.64) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL5245154 0.84 EPHX1 (0.68) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL5249158 0.84 ACHE (0.47) CHRNB2CHRNA4ACHE
SCHEMBL5245893 0.84 EPHX1 (0.53) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL12172818 0.83 EPHX1 (0.71) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL22631510 0.82 EPHX1 (0.55) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL6287268 0.82 EPHX1 (0.55) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL5247571 0.82 EPHX1 (0.61) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL5244862 0.81 ACHE (0.67) EPHX1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379598-B1 UNSATURATED COMPOUNDS CONTAINING CARBAMATE TERMINAL GROUPS OR UREA TERMINAL GROUPS BASF AG (DE) 2007-09-12 EP disclosed
US-6916854-B2 Heat and/or light curable films or coatings comprising polyurethanes or polyureaurethane copolymers having storage stability, used as automobile paints BASF AKTIENGESELLSCHAFT (DE) 2005-07-12 US disclosed
US-20040097642-A1 Unsaturated compounds containing carbamate terminal groups or urea terminal groups BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed
EP-1379598-A1 UNSATURATED COMPOUNDS CONTAINING CARBAMATE TERMINAL GROUPS OR UREA TERMINAL GROUPS BASF AKTIENGESELLSCHAFT (DE) 2004-01-14 EP disclosed
WO-2002086000-A1 UNSATURATED COMPOUNDS CONTAINING CARBAMATE TERMINAL GROUPS OR UREA TERMINAL GROUPS BASF AKTIENGESELLSCHAFT (DE) 2002-10-31 WO disclosed