SCHEMBL21883680

SCHEMBL21883680

CCCOC(=O)COc1c2ccccc2c(OCC(=O)OCCC)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
LMNA P02545 1/20 0.47
TOP2A P11388 2/20 0.46
KDM4E B2RXH2 5/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 2/20 0.45
CASP3 P42574 1/20 0.43
CASP7 P55210 1/20 0.43
CASP9 P55211 1/20 0.43
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
MAOB P27338 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41

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
SCHEMBL30594155 1.00 ALDH1A1 (0.49) ALDH1A1LMNATOP2AKDM4EHPGD
SCHEMBL21883678 0.90 ALDH1A1 (0.52) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL30594136 0.89 TSHR (0.53) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL21883677 0.89 TSHR (0.53) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL21883681 0.86 CASP3 (0.55) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL30594159 0.84 ALDH1A1 (0.42) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL22100780 0.84 ALDH1A1 (0.42) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL4563082 0.81 ALOX15 (0.55) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL21883673 0.78 MMP1 (0.49) ALDH1A1LMNAKDM4EMAPTL3MBTL1
SCHEMBL30594131 0.78 MMP1 (0.49) ALDH1A1LMNAKDM4EMAPTL3MBTL1

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