SCHEMBL5247448

SCHEMBL5247448

CCC(CO)(CO)COC(=O)NC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.41
MAPK1 P28482 2/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
HIF1A Q16665 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CYP2D6 P10635 1/20 0.38
CHRM1 P11229 1/20 0.38
NFKB1 P19838 1/20 0.38
CHRM3 P20309 1/20 0.38
CHRNA7 P36544 1/20 0.38
LMNA P02545 1/20 0.37
APEX1 P27695 1/20 0.37
THRB P10828 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
SCHEMBL5248820 0.90 SMN1; SMN2 (0.42) EPHX1MAPK1CHRNB2CHRNA4SMN1; SMN2
SCHEMBL12845028 0.90 EPHX1 (0.45) EPHX1MAPK1CHRNB2CHRNA4SMN1; SMN2
SCHEMBL17657615 0.86 EPHX1 (0.35) EPHX1MAPK1CHRNB2CHRNA4SMN1; SMN2
SCHEMBL12845027 0.83 MAPK1 (0.46) EPHX1MAPK1CHRNB2CHRNA4SMN1; SMN2
SCHEMBL5248828 0.82 CHRNB2 (0.42) EPHX1MAPK1CHRNB2CHRNA4SMN1; SMN2
SCHEMBL5246131 0.82 EPHX1 (0.40) EPHX1MAPK1CHRNB2CHRNA4SMN1; SMN2
SCHEMBL5247092 0.79 EPHX1 (0.38) EPHX1MAPK1CHRNB2CHRNA4SMN1; SMN2
SCHEMBL275046 0.78 ALDH1A1 (0.38) MAPK1SMN1; SMN2ALDH1A1TP53CYP3A4
SCHEMBL12640661 0.77 CHRNB2 (0.42) EPHX1MAPK1CHRNB2CHRNA4SMN1; SMN2
SCHEMBL3683178 0.77 ALDH1A1 (0.44) MAPK1CHRNB2CHRNA4SMN1; SMN2ALDH1A1

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