SCHEMBL28117987

SCHEMBL28117987

C=CC1OC(=O)OC1c1cccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
BLM P54132 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 2/20 0.40
TDP2 O95551 1/20 0.40
ALOX12 P18054 1/20 0.40
CASP3 P42574 1/20 0.40
HTT P42858 1/20 0.40
GALK1 P51570 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
EPHX1 P07099 1/20 0.40
PLA2G6 O60733 4/20 0.38
LMNA P02545 2/20 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
SCHEMBL576846 0.65 MTNR1A (0.50) MAPK1ALDH1A1MAPTHPGDBLM
SCHEMBL30528399 0.65 ALDH1A1 (0.47) MAPK1ALDH1A1MAPTHPGDBLM
SCHEMBL28833969 0.65 SLC6A4 (0.44) MAPK1ALDH1A1MAPTHPGDBLM
SCHEMBL30528424 0.64 SLC37A4 (0.46) MAPK1ALDH1A1MAPTHPGDBLM
SCHEMBL28363337 0.64 MTNR1A (0.45) MAPK1ALDH1A1MAPTHPGDBLM
SCHEMBL31546135 0.64 MTNR1A (0.45) MAPK1ALDH1A1MAPTHPGDBLM
SCHEMBL9764610 0.64 ALDH1A1 (0.58) MAPK1ALDH1A1MAPTHPGDBLM
SCHEMBL27726500 0.64 IDO1 (0.53) MAPK1ALDH1A1MAPTHPGDBLM
SCHEMBL7915108 0.63 EPHX1 (0.50) MAPK1ALDH1A1MAPTHPGDBLM
SCHEMBL3754733 0.63 EPHX1 (0.50) MAPK1ALDH1A1MAPTHPGDBLM

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-103764708-B Photopolymerizable composition, photopolymerizable coating agent, laminate, and polarizing plate 东洋油墨SC控股株式会社 2016-12-14 CN disclosed