SCHEMBL21456985

SCHEMBL21456985

C=Cc1c(CC)c2ccc(N(CCC)CCC)cc2oc1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGLV6-57 P01721 2/20 0.49
ALDH1A1 P00352 12/20 0.45
KDM4E B2RXH2 8/20 0.45
GLA P06280 6/20 0.45
ATM Q13315 6/20 0.45
GAA P10253 2/20 0.45
KLK7 P49862 1/20 0.45
HTT P42858 5/20 0.44
TDP1 Q9NUW8 4/20 0.44
NPSR1 Q6W5P4 4/20 0.44
MAPT P10636 6/20 0.43
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
L3MBTL1 Q9Y468 5/20 0.43
CASP1 P29466 5/20 0.43
CASP7 P55210 5/20 0.43
HSD17B10 Q99714 5/20 0.43
CYP3A4 P08684 3/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 2/20 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
SCHEMBL21485418 0.95 IGLV6-57 (0.56) IGLV6-57ALDH1A1KDM4EGLAATM
SCHEMBL21457018 0.93 ALDH1A1 (0.46) IGLV6-57ALDH1A1KDM4EGLAATM
SCHEMBL24861967 0.89 IGLV6-57 (0.42) IGLV6-57ALDH1A1KDM4EGLAATM
SCHEMBL21457016 0.86 ALDH1A1 (0.54) IGLV6-57ALDH1A1KDM4EGLAATM
SCHEMBL21456973 0.86 CCR4 (0.43) IGLV6-57ALDH1A1KDM4EGLAATM
SCHEMBL21457037 0.83 IGLV6-57 (0.48) IGLV6-57ALDH1A1KDM4EGLAATM
SCHEMBL21481629 0.83 IGLV6-57 (0.46) IGLV6-57ALDH1A1KDM4EGLAATM
SCHEMBL21457064 0.83 IGLV6-57 (0.48) IGLV6-57ALDH1A1KDM4EGLAATM
SCHEMBL21457051 0.82 ALDH1A1 (0.57) IGLV6-57ALDH1A1KDM4EGLAATM
SCHEMBL21456986 0.80 ALDH1A1 (0.41) IGLV6-57ALDH1A1KDM4EGLAATM

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