SCHEMBL21457033

SCHEMBL21457033

CCCN(CCC)c1ccc2c(C)c(/C=C/c3ccc(/C=C/c4ccc(C=O)cc4)cc3)c(=O)oc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGLV6-57 P01721 3/20 0.52
ALDH1A1 P00352 12/20 0.50
KDM4E B2RXH2 8/20 0.50
HTT P42858 5/20 0.50
TDP1 Q9NUW8 4/20 0.50
ATM Q13315 6/20 0.48
GLA P06280 6/20 0.48
GAA P10253 2/20 0.48
KLK7 P49862 1/20 0.48
NPSR1 Q6W5P4 4/20 0.47
MAPT P10636 6/20 0.46
L3MBTL1 Q9Y468 5/20 0.46
CASP1 P29466 5/20 0.46
CASP7 P55210 5/20 0.46
HSD17B10 Q99714 5/20 0.46
LMNA P02545 2/20 0.46
THRB P10828 1/20 0.46
HPGD P15428 6/20 0.45
HIF1A Q16665 2/20 0.45
SMN1; SMN2 Q16637 1/20 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
SCHEMBL30171131 1.00 IGLV6-57 (0.52) IGLV6-57ALDH1A1KDM4EHTTTDP1
SCHEMBL21457062 1.00 IGLV6-57 (0.52) IGLV6-57ALDH1A1KDM4EHTTTDP1
SCHEMBL21456981 0.94 ALDH1A1 (0.49) IGLV6-57ALDH1A1KDM4EHTTTDP1
SCHEMBL21457096 0.94 ALDH1A1 (0.49) IGLV6-57ALDH1A1KDM4EHTTTDP1
SCHEMBL21456994 0.92 ALDH1A1 (0.59) IGLV6-57ALDH1A1KDM4EHTTTDP1
SCHEMBL21457037 0.88 IGLV6-57 (0.48) IGLV6-57ALDH1A1KDM4EHTTTDP1
SCHEMBL21457064 0.88 IGLV6-57 (0.48) IGLV6-57ALDH1A1KDM4EHTTTDP1
SCHEMBL21457108 0.88 ALDH1A1 (0.47) IGLV6-57ALDH1A1KDM4EHTTTDP1
SCHEMBL21457050 0.88 ALDH1A1 (0.47) IGLV6-57ALDH1A1KDM4EHTTTDP1
SCHEMBL21457034 0.85 CCR4 (0.47) IGLV6-57ALDH1A1KDM4EHTTTDP1

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 3 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