SCHEMBL21456973

SCHEMBL21456973

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.43
ALDH1A1 P00352 10/20 0.42
KDM4E B2RXH2 6/20 0.42
ATM Q13315 5/20 0.42
GLA P06280 5/20 0.42
GAA P10253 1/20 0.42
KLK7 P49862 1/20 0.42
NPSR1 Q6W5P4 3/20 0.41
HTT P42858 4/20 0.41
TDP1 Q9NUW8 4/20 0.41
HSD17B10 Q99714 5/20 0.40
CASP1 P29466 4/20 0.40
CASP7 P55210 4/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
MAPT P10636 4/20 0.40
CYP3A4 P08684 3/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 2/20 0.40

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
SCHEMBL21456985 0.86 IGLV6-57 (0.49) ALDH1A1KDM4EATMGLAGAA
SCHEMBL21485418 0.84 IGLV6-57 (0.56) ALDH1A1KDM4EATMGLAGAA
SCHEMBL21457018 0.84 ALDH1A1 (0.46) ALDH1A1KDM4EATMGLAGAA
SCHEMBL21457084 0.83 CCR4 (0.53) CCR4ALDH1A1KDM4EATMGLA
SCHEMBL21457022 0.82 ALDH1A1 (0.43) CCR4ALDH1A1KDM4EATMGLA
SCHEMBL21457019 0.82 ALDH1A1 (0.43) CCR4ALDH1A1KDM4EATMGLA
SCHEMBL21457095 0.81 ALDH1A1 (0.54) CCR4ALDH1A1KDM4EATMGLA
SCHEMBL21485404 0.78 ESR1 (0.46) KDM4EMEN1KMT2AMAPTESR1
SCHEMBL21457072 0.78 SLC16A3 (0.42) ALDH1A1KDM4EATMGLAGAA
SCHEMBL21457045 0.78 SLC16A3 (0.42) ALDH1A1KDM4EATMGLAGAA

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