SCHEMBL28345258

SCHEMBL28345258

C=C(C)C(=O)OCCOc1c(O)cc(C(=O)c2ccccc2)c(O)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.41
MAPT P10636 5/20 0.40
HPGD P15428 4/20 0.40
LMNA P02545 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 3/20 0.40
BCL2 P10415 3/20 0.40
MCL1 Q07820 3/20 0.40
RECQL P46063 2/20 0.40
CYP3A4 P08684 1/20 0.40
HTT P42858 2/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 3/20 0.39
ALOX15 P16050 2/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 1/20 0.38
PGR P06401 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL28348656 0.82 THRB (0.52) MAPTHPGDLMNAKDM4EHSD17B10
SCHEMBL5478807 0.81 CCNB2 (0.50) MAPTHPGDLMNAKDM4EHSD17B10
SCHEMBL30234326 0.81 MAPT (0.56) ELANEMAPTHPGDLMNAKDM4E
SCHEMBL28348202 0.81 MAPT (0.56) ELANEMAPTHPGDLMNAKDM4E
SCHEMBL5478166 0.80 CCNB2 (0.47) MAPTHPGDLMNAKDM4EHSD17B10
SCHEMBL93397 0.80 HPGD (0.59) ELANEMAPTHPGDLMNACYP3A4
SCHEMBL29384880 0.80 HPGD (0.59) ELANEMAPTHPGDLMNACYP3A4
SCHEMBL27589392 0.79 CCNB2 (0.52) MAPTHPGDLMNAKDM4EHSD17B10
SCHEMBL5480607 0.78 CCNB2 (0.51) BCL2MCL1CCNB2CCNE2CDK1
SCHEMBL2799223 0.78 CCNB2 (0.51) BCL2MCL1CCNB2CCNE2CDK1

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
CN-110621710-A Active energy ray-curable resin composition, hard coat laminated film, and film for external glass 理研科技株式会社 2019-12-27 CN disclosed