SCHEMBL20680903

SCHEMBL20680903

C=CCOC[C@H](C[N+](C)(C)C)OC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CYP1A2 P05177 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 2/20 0.50
HRH1 P35367 1/20 0.50
TSHR P16473 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM1 P11229 1/20 0.44
TBXA2R P21731 1/20 0.44
MAPT P10636 2/20 0.43
BLM P54132 2/20 0.43
GALR3 O60755 1/20 0.43
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 1/20 0.36
ADRA1D P25100 1/20 0.34
PTAFR P25105 1/20 0.34
HTR1D P28221 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
SCHEMBL20681442 1.00 MEN1 (0.50) MEN1KMT2ACYP1A2SMN1; SMN2LMNA
SCHEMBL22160320 0.86 CYP1A2 (0.36) MEN1KMT2ACYP1A2SMN1; SMN2LMNA
SCHEMBL20680902 0.86 CYP1A2 (0.36) MEN1KMT2ACYP1A2SMN1; SMN2LMNA
SCHEMBL16001973 0.86 CA1 (0.42) MEN1KMT2ACYP1A2SMN1; SMN2LMNA
SCHEMBL19093002 0.81 CA1 (0.39) MEN1KMT2ACYP1A2SMN1; SMN2LMNA
SCHEMBL5495059 0.81 PRKCA (0.46) CA1CA2CA7CA9
SCHEMBL640917 0.81 PRKCA (0.46) CA1CA2CA7CA9
SCHEMBL13449717 0.80 CA1 (0.38) MEN1KMT2ACYP1A2SMN1; SMN2LMNA
SCHEMBL1830477 0.80 TDP1 (0.41) SMN1; SMN2LMNATSHRMAPTCA1
SCHEMBL10956519 0.80 TDP1 (0.41) SMN1; SMN2LMNATSHRMAPTCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3658663-A1 CHLORIDE-FREE CATIONIC POLYMERS USING ACETATE ANIONS Union Carbide Chemicals & Plastics Technology LLC (US) 2020-06-03 EP disclosed
EP-3658661-A1 CHLORIDE-FREE CATIONIC POLYMERS USING ACETATE ANIONS Union Carbide Corporation (US) 2020-06-03 EP disclosed
WO-2019022869-A1 CHLORIDE-FREE CATIONIC POLYMERS USING ACETATE ANIONS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY LLC (US) 2019-01-31 WO disclosed
WO-2019022868-A1 CHLORIDE-FREE CATIONIC POLYMERS USING ACETATE ANIONS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY LLC (US) 2019-01-31 WO disclosed