SCHEMBL28277307

SCHEMBL28277307

C=CCc1ccc(OC(=O)c2ccc(C(=O)O)o2)c(OC)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.73
KMT2A Q03164 3/20 0.73
CYP3A4 P08684 2/20 0.73
TDP1 Q9NUW8 1/20 0.73
L3MBTL1 Q9Y468 1/20 0.73
NPC1 O15118 3/20 0.69
RAB9A P51151 3/20 0.69
PTGS1 P23219 2/20 0.67
MAPT P10636 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
POLB P06746 1/20 0.61
HSP90AA1 P07900 1/20 0.61
ALDH1A1 P00352 4/20 0.60
PPARA Q07869 3/20 0.60
PPARG P37231 1/20 0.60
PPARD Q03181 1/20 0.60
PRSS1 P07477 1/20 0.57
ACR P10323 1/20 0.57
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53

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
SCHEMBL20213687 0.95 MEN1 (0.76) MEN1KMT2ACYP3A4TDP1L3MBTL1
Eugenol SCHEMBL30183866 0.84 ALDH1A1 (0.76) MEN1KMT2ACYP3A4TDP1L3MBTL1
Eugenol SCHEMBL28969433 0.84 ALDH1A1 (0.76) MEN1KMT2ACYP3A4TDP1L3MBTL1
Eugenyl Benzoat SCHEMBL31089296 0.84 MEN1 (1.00) MEN1KMT2ACYP3A4TDP1L3MBTL1
Eugenyl Benzoat SCHEMBL357066 0.84 MEN1 (1.00) MEN1KMT2ACYP3A4TDP1L3MBTL1
SCHEMBL28848683 0.84 PTGS1 (0.78) MEN1KMT2ACYP3A4TDP1L3MBTL1
SCHEMBL22171679 0.82 MEN1 (0.85) MEN1KMT2ACYP3A4TDP1L3MBTL1
SCHEMBL28672434 0.81 PTGS1 (0.78) MEN1KMT2ACYP3A4TDP1L3MBTL1
Eugenyl Acetate SCHEMBL29802968 0.81 PTGS1 (1.00) MEN1KMT2ACYP3A4TDP1L3MBTL1
Eugenyl Acetate SCHEMBL112232 0.81 PTGS1 (1.00) MEN1KMT2ACYP3A4TDP1L3MBTL1

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
CN-106700073-B A kind of modified bismaleimide resin and preparation method thereof 苏州大学 2019-04-12 CN claimed
CN-106589317-B A kind of epoxy resin and preparation method thereof based on biomass 苏州大学 2019-02-05 CN claimed
CN-106700073-B A kind of modified bismaleimide resin and preparation method thereof 苏州大学 2019-04-12 CN disclosed
CN-106589317-B A kind of epoxy resin and preparation method thereof based on biomass 苏州大学 2019-02-05 CN disclosed