SCHEMBL21457097

SCHEMBL21457097

CCCN(CCC)c1ccc2c(CC)cc(=O)oc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGLV6-57 P01721 6/20 0.67
HSD17B3 P37058 2/20 0.57
ALDH1A1 P00352 8/20 0.57
HPGD P15428 5/20 0.57
L3MBTL1 Q9Y468 4/20 0.57
GLA P06280 4/20 0.57
CYP3A4 P08684 3/20 0.57
HSD17B10 Q99714 2/20 0.57
MAPK1 P28482 1/20 0.57
CASP1 P29466 1/20 0.57
CASP7 P55210 1/20 0.57
ATM Q13315 1/20 0.57
HIF1A Q16665 1/20 0.57
MAPT P10636 5/20 0.56
KDM4E B2RXH2 5/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
TDP1 Q9NUW8 2/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 2/20 0.56

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
SCHEMBL21457083 0.92 IGLV6-57 (0.56) IGLV6-57HSD17B3ALDH1A1HPGDL3MBTL1
SCHEMBL6690441 0.88 ALDH1A1 (0.73) IGLV6-57HSD17B3ALDH1A1HPGDL3MBTL1
SCHEMBL11059919 0.85 IGLV6-57 (0.89) IGLV6-57HSD17B3ALDH1A1HPGDL3MBTL1
SCHEMBL8116718 0.84 ALDH1A1 (0.79) IGLV6-57HSD17B3ALDH1A1HPGDL3MBTL1
SCHEMBL24983388 0.83 HSD17B3 (0.59) IGLV6-57HSD17B3ALDH1A1HPGDL3MBTL1
SCHEMBL6688161 0.83 ALDH1A1 (0.64) IGLV6-57HSD17B3ALDH1A1HPGDL3MBTL1
SCHEMBL6689431 0.83 HSD17B3 (0.62) IGLV6-57HSD17B3ALDH1A1HPGDL3MBTL1
SCHEMBL10877106 0.81 ALDH1A1 (0.68) IGLV6-57HSD17B3ALDH1A1HPGDL3MBTL1
SCHEMBL16563181 0.80 ALDH1A1 (0.51) IGLV6-57HSD17B3ALDH1A1HPGDL3MBTL1
SCHEMBL22501531 0.80 IGLV6-57 (1.00) IGLV6-57HSD17B3ALDH1A1HPGDL3MBTL1

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