SCHEMBL20573182

SCHEMBL20573182

CC=CCc1ccc(OC)c(OC)c1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.51
SMN1; SMN2 Q16637 4/20 0.44
POLB P06746 1/20 0.44
CYP1A2 P05177 1/20 0.44
CHRM2 P08172 1/20 0.44
SLC6A4 P31645 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
KDM4E B2RXH2 5/20 0.43
TSHR P16473 1/20 0.43
APOBEC3A P31941 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
CYP19A1 P11511 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL28108216 0.90 AOC3 (0.43) AOC3SMN1; SMN2POLBCYP1A2CHRM2
SCHEMBL900889 0.85 AOC3 (0.50) AOC3SMN1; SMN2POLBCYP1A2CHRM2
SCHEMBL27943252 0.81 AOC3 (0.44) AOC3SMN1; SMN2POLBCYP1A2CHRM2
SCHEMBL7151009 0.79 AOC3 (0.49) AOC3SMN1; SMN2POLBCYP1A2CHRM2
SCHEMBL1253168 0.77 AOC3 (0.64) AOC3SMN1; SMN2POLBCYP1A2KDM4E
SCHEMBL165313 0.76 AOC3 (0.58) AOC3SMN1; SMN2POLBCYP1A2CHRM2
SCHEMBL775238 0.76 AOC3 (0.53) AOC3SMN1; SMN2POLBCYP1A2CHRM2
SCHEMBL8910900 0.76 AOC3 (0.56) AOC3SMN1; SMN2POLBCYP1A2CHRM2
Hydrochloric Acid SCHEMBL7366474 0.76 AOC3 (0.62) AOC3CYP1A2KDM4EAPOBEC3ACTDSP1
SCHEMBL746937 0.75 AOC3 (0.45) AOC3SMN1; SMN2POLBCYP1A2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3204045-B1 PHARMACEUTICAL FORMULATIONS FOR THE ORAL DELIVERY OF PEPTIDE OR PROTEIN DRUGS CYPRUMED GMBH (AT) 2018-12-05 EP claimed