SCHEMBL21098353

SCHEMBL21098353

CNC(=O)OCC(O)COC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.44
CHRNA4 P43681 2/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
CYP2D6 P10635 1/20 0.44
CHRM1 P11229 1/20 0.44
NFKB1 P19838 1/20 0.44
CHRM3 P20309 1/20 0.44
MAPK1 P28482 1/20 0.44
CHRNA7 P36544 1/20 0.44
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
APEX1 P27695 1/20 0.42
EPHX1 P07099 1/20 0.42
CYP1A2 P05177 2/20 0.36
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31

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
SCHEMBL13347915 0.91 CHRNB2 (0.45) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL27558053 0.81 LMNA (0.46) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL10068167 0.81 CYP1A2 (0.44) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL140355 0.81 LMNA (0.46) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL21344297 0.81 LMNA (0.46) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL12642768 0.80 CHRNB2 (0.41) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL13017831 0.79 CHRNB2 (0.47) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL19853430 0.79 CHRNB2 (0.44) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL29012508 0.78 ALDH1A1 (0.38) LMNASMN1; SMN2CYP1A2MAPTKDM4E
SCHEMBL9885917 0.78 CHRNB2 (0.42) CHRNB2CHRNA4CHRM2CHRM4CHRM5

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