SCHEMBL21098352

SCHEMBL21098352

CNC(=O)OC(CO)COC

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 5/20 0.40
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CYP2D6 P10635 1/20 0.35
CHRM1 P11229 1/20 0.35
NFKB1 P19838 1/20 0.35
CHRM3 P20309 1/20 0.35
MAPK1 P28482 1/20 0.35
CHRNA7 P36544 1/20 0.35
PRKCE Q02156 1/20 0.35
PRKCQ Q04759 1/20 0.35
PRKCD Q05655 1/20 0.35
LMNA P02545 1/20 0.34
APEX1 P27695 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
EPHX1 P07099 1/20 0.34

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
SCHEMBL12199642 0.87 MAPK1 (0.41) PRKCACHRNB2CHRNA4CHRM2CHRM4
SCHEMBL19968518 0.86 PRKCA (0.47) PRKCACHRNB2CHRNA4CHRM2CHRM4
SCHEMBL13017830 0.86 EPHX1 (0.37) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL26885693 0.82 CTSK (0.39) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL19435389 0.81 CTSK (0.39) PRKCACHRNB2CHRNA4CHRM2CHRM4
SCHEMBL9575888 0.79 EPHX1 (0.53) PRKCAMAPK1PRKCEPRKCQPRKCD
SCHEMBL10832349 0.79 EPHX1 (0.53) PRKCAMAPK1PRKCEPRKCQPRKCD
SCHEMBL28692700 0.79 PRKCA (0.44) PRKCAPRKCEPRKCQPRKCD
SCHEMBL28965205 0.79 PRKCA (0.44) PRKCAPRKCEPRKCQPRKCD
SCHEMBL22420232 0.77 PRKCA (0.40) PRKCACHRNB2CHRNA4PRKCEPRKCQ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10731034-B2 Polyurethane urea composition and preparation method thereof INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2020-08-04 US disclosed
US-20190185668-A1 POLYURETHANE UREA COMPOSITION AND PREPARATION METHOD THEREOF INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2019-06-20 US disclosed