SCHEMBL21457076

SCHEMBL21457076

CCCN(CCC)c1ccc2c(C)c(/C=C/c3ccc(C(=O)O)c(C)c3)c(=O)oc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.44
KDM4E B2RXH2 7/20 0.44
HTT P42858 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
IGLV6-57 P01721 3/20 0.43
ATM Q13315 5/20 0.43
GLA P06280 4/20 0.43
HSD17B10 Q99714 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
CASP1 P29466 3/20 0.43
CASP7 P55210 3/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
SRC P12931 2/20 0.43
GAA P10253 3/20 0.43
KLK7 P49862 1/20 0.43
HPGD P15428 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
SLC16A3 O15427 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
SCHEMBL21457090 0.94 SRC (0.48) ALDH1A1KDM4EHTTTDP1IGLV6-57
SCHEMBL21457075 0.91 IGLV6-57 (0.42) ALDH1A1KDM4EHTTTDP1IGLV6-57
SCHEMBL21457108 0.89 ALDH1A1 (0.47) ALDH1A1KDM4EHTTTDP1IGLV6-57
SCHEMBL21457050 0.89 ALDH1A1 (0.47) ALDH1A1KDM4EHTTTDP1IGLV6-57
SCHEMBL21457015 0.87 SLC16A3 (0.47) ALDH1A1KDM4EHTTTDP1ATM
SCHEMBL21456988 0.85 SRC (0.45) ALDH1A1KDM4EHTTTDP1IGLV6-57
SCHEMBL21457101 0.84 SRC (0.50) ALDH1A1KDM4EHTTTDP1IGLV6-57
SCHEMBL21456993 0.84 SRC (0.50) ALDH1A1KDM4EHTTTDP1IGLV6-57
SCHEMBL21457033 0.83 IGLV6-57 (0.52) ALDH1A1KDM4EHTTTDP1IGLV6-57
SCHEMBL21457062 0.83 IGLV6-57 (0.52) ALDH1A1KDM4EHTTTDP1IGLV6-57

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 2 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-A1 FLUORESCENT COUMARIN COMPOUNDS AND METHOD OF SYNTHESIS THEREOF Universidade de Évora (PT) 2019-10-16 EP disclosed