SCHEMBL21457041

SCHEMBL21457041

CCN(CC)c1ccc2c(C)c(/C=C/c3ccc(C(=O)OC)cc3)c(=O)oc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.54
KDM4E B2RXH2 7/20 0.54
GLA P06280 6/20 0.54
ATM Q13315 5/20 0.54
MAPT P10636 5/20 0.54
HTT P42858 4/20 0.54
L3MBTL1 Q9Y468 4/20 0.54
CASP1 P29466 4/20 0.54
CASP7 P55210 4/20 0.54
HSD17B10 Q99714 4/20 0.54
LMNA P02545 3/20 0.54
THRB P10828 1/20 0.54
TDP1 Q9NUW8 2/20 0.54
GAA P10253 2/20 0.52
KLK7 P49862 1/20 0.52
HPGD P15428 4/20 0.46
HIF1A Q16665 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
IGLV6-57 P01721 7/20 0.45

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
SCHEMBL21456975 0.92 ALDH1A1 (0.46) ALDH1A1KDM4EGLAATMMAPT
SCHEMBL21457054 0.92 ALDH1A1 (0.46) ALDH1A1KDM4EGLAATMMAPT
SCHEMBL21457003 0.91 ALDH1A1 (0.46) ALDH1A1KDM4EGLAATMMAPT
SCHEMBL21457048 0.91 ALDH1A1 (0.46) ALDH1A1KDM4EGLAATMMAPT
SCHEMBL24862082 0.90 ALDH1A1 (0.52) ALDH1A1KDM4EGLAATMMAPT
SCHEMBL21457036 0.89 ALDH1A1 (0.57) ALDH1A1KDM4EGLAATMMAPT
SCHEMBL21457100 0.89 KMT2A (0.42) ALDH1A1KDM4EGLAATMMAPT
SCHEMBL21457017 0.89 KMT2A (0.42) ALDH1A1KDM4EGLAATMMAPT
SCHEMBL24862196 0.86 ALDH1A1 (0.48) ALDH1A1KDM4EGLAATMMAPT
SCHEMBL21456994 0.85 ALDH1A1 (0.59) ALDH1A1KDM4EGLAATMMAPT

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
EP-3553054-B1 FLUORESCENT COUMARIN COMPOUNDS AND METHOD OF SYNTHESIS THEREOF UNIV EVORA (PT) 2023-01-11 EP disclosed
EP-3553054-B1 FLUORESCENT COUMARIN COMPOUNDS AND METHOD OF SYNTHESIS THEREOF UNIV EVORA (PT) 2023-01-11 EP disclosed
EP-3553054-A1 FLUORESCENT COUMARIN COMPOUNDS AND METHOD OF SYNTHESIS THEREOF Universidade de Évora (PT) 2019-10-16 EP disclosed
EP-3553054-A1 FLUORESCENT COUMARIN COMPOUNDS AND METHOD OF SYNTHESIS THEREOF Universidade de Évora (PT) 2019-10-16 EP disclosed