SCHEMBL21456971

SCHEMBL21456971

CCc1c(/C=C/c2ccc(C(=O)O)c(C)c2)c(=O)oc2cc(N(C)C)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 3/20 0.44
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 4/20 0.38
HTT P42858 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD17B10 Q99714 3/20 0.38
GLA P06280 2/20 0.38
ATM Q13315 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC16A1 P53985 2/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.37
KLK7 P49862 1/20 0.37

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
SCHEMBL21457075 0.90 IGLV6-57 (0.42) SLC16A3ALDH1A1KDM4EHTTTDP1
SCHEMBL21456988 0.88 SRC (0.45) SLC16A3ALDH1A1KDM4EHTTTDP1
SCHEMBL21457045 0.88 SLC16A3 (0.42) SLC16A3ALDH1A1KDM4EHTTTDP1
SCHEMBL21457072 0.88 SLC16A3 (0.42) SLC16A3ALDH1A1KDM4EHTTTDP1
SCHEMBL21457015 0.88 SLC16A3 (0.47) SLC16A3ALDH1A1KDM4EHTTTDP1
SCHEMBL21485404 0.84 ESR1 (0.46) KDM4EMAPTESR1
SCHEMBL21456972 0.82 MEN1 (0.41) SLC16A3ALDH1A1KDM4EHTTTDP1
SCHEMBL21456999 0.82 MEN1 (0.41) SLC16A3ALDH1A1KDM4EHTTTDP1
SCHEMBL21457022 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EHTTTDP1HSD17B10
SCHEMBL21457019 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EHTTTDP1HSD17B10

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