SCHEMBL21883673

SCHEMBL21883673

COC(=O)COc1c2ccccc2c(OCC(=O)OC)c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.46
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 5/20 0.46
KMT2A Q03164 4/20 0.46
LMNA P02545 1/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 2/20 0.44
NPC1 O15118 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 1/20 0.43
IDO1 P14902 1/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43

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
SCHEMBL30594131 1.00 MMP1 (0.49) MMP1MMP9MMP8SMN1; SMN2MAPK1
SCHEMBL21883669 0.84 MMP1 (0.40) MMP1MMP9MMP8SMN1; SMN2MAPK1
SCHEMBL21883681 0.81 CASP3 (0.55) SMN1; SMN2MAPK1KDM4ELMNAMAPT
SCHEMBL21883682 0.79 MAPT (0.59) MAPK1KDM4EKMT2ALMNAMEN1
SCHEMBL21883674 0.79 PSEN1 (0.46) KDM4EKMT2ALMNAMEN1MAPT
SCHEMBL10506317 0.79 SMN1; SMN2 (0.60) SMN1; SMN2KDM4EKMT2ALMNAMEN1
SCHEMBL10428803 0.78 KMT2A (0.57) MMP1MMP9MMP8SMN1; SMN2KMT2A
SCHEMBL22091767 0.78 CNR2 (0.54) SMN1; SMN2LMNAMAPTALDH1A1POLB
SCHEMBL30594155 0.78 ALDH1A1 (0.49) SMN1; SMN2KDM4ELMNAMAPTALDH1A1
SCHEMBL21883680 0.78 ALDH1A1 (0.49) SMN1; SMN2KDM4ELMNAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020213442-A1 PHOTOPOLYMERIZABLE COMPOSITION, COATING FILM CONTAINING SAID PHOTOPOLYMERIZABLE COMPOSITION, AND CURING METHOD THEREFOR 川崎化成工業株式会社 2020-10-22 WO disclosed
WO-2020209209-A1 RADICAL PHOTOCURING OXYGEN INHIBITION REDUCER, RADICAL PHOTOPOLYMERIZABLE COMPOSITION CONTAINING RADICAL PHOTOCURING OXYGEN INHIBITION REDUCER, COATING CONTAINING RADICAL PHOTOCURING OXYGEN INHIBITION REDUCER, AND METHOD FOR CURING SAME 川崎化成工業株式会社 2020-10-15 WO disclosed
WO-2020208833-A1 PHOTO-RADICALLY CURABLE OXYGEN-INHIBITION-REDUCING AGENT, PHOTO-RADICALLY CURABLE OXYGEN-INHIBITION-REDUCING AGENT-CONTAINING PHOTO-RADICALLY POLYMERIZABLE COMPOSITION, PHOTO-RADICALLY CURABLE OXYGEN-INHIBITION-REDUCING AGENT-CONTAINING COATING FILM, AND METHOD FOR CURING SAME 川崎化成工業株式会社 2020-10-15 WO disclosed
WO-2020121384-A1 PHOTOPOLYMERIZATION SENSITIZER HAVING MIGRATION RESISTANCE 川崎化成工業株式会社 2020-06-18 WO disclosed
WO-2020121544-A1 MIGRATION-RESISTANT PHOTOPOLYMERIZATION SENSITIZER 川崎化成工業株式会社 2020-06-18 WO disclosed
WO-2020054116-A1 PHOTOPOLYMERIZATION SENSITIZER 川崎化成工業株式会社 2020-03-19 WO disclosed
WO-2020054874-A1 PHOTOPOLYMERIZATION SENSITIZER 川崎化成工業株式会社 2020-03-19 WO disclosed