SCHEMBL5250402

SCHEMBL5250402

CCCCNCC(C)(C)COC(=O)NC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.46
ACHE P22303 14/20 0.40
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRNB2 P17787 1/20 0.33
NFKB1 P19838 1/20 0.33
CHRM3 P20309 1/20 0.33
MAPK1 P28482 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL5250676 0.87 EPHX1 (0.46) EPHX1ACHEPOLBSMN1; SMN2L3MBTL1
SCHEMBL5247492 0.87 ACHE (0.56) EPHX1ACHE
SCHEMBL6285470 0.86 ACHE (0.46) EPHX1ACHECHRNB2CHRNA4TSHR
SCHEMBL5244937 0.85 EPHX1 (0.47) EPHX1ACHEPOLBSMN1; SMN2L3MBTL1
SCHEMBL5247597 0.83 EPHX1 (0.39) EPHX1SMN1; SMN2CHRM2CHRM4CHRM5
SCHEMBL5244778 0.83 EPHX1 (0.45) EPHX1ACHEPOLBSMN1; SMN2L3MBTL1
SCHEMBL6290258 0.82 LMNA (0.47) ACHEPOLBSMN1; SMN2L3MBTL1NFKB1
SCHEMBL5247096 0.79 ACHE (0.54) EPHX1ACHE
SCHEMBL5249829 0.77 ACHE (0.56) EPHX1ACHE
SCHEMBL5247104 0.77 CHRNB2 (0.39) EPHX1SMN1; SMN2CHRM2CHRM4CHRM5

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 3 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