SCHEMBL21457083

SCHEMBL21457083

CCCCN(CCCC)c1ccc2c(CC)cc(=O)oc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGLV6-57 P01721 5/20 0.56
HSD17B3 P37058 2/20 0.55
ALDH1A1 P00352 9/20 0.55
L3MBTL1 Q9Y468 4/20 0.55
HPGD P15428 4/20 0.55
GLA P06280 3/20 0.55
CYP3A4 P08684 2/20 0.55
HSD17B10 Q99714 2/20 0.55
MAPK1 P28482 1/20 0.55
CASP1 P29466 1/20 0.55
CASP7 P55210 1/20 0.55
ATM Q13315 1/20 0.55
HIF1A Q16665 1/20 0.55
KDM4E B2RXH2 6/20 0.53
MAPT P10636 5/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53

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
SCHEMBL24983388 0.92 HSD17B3 (0.59) IGLV6-57HSD17B3ALDH1A1L3MBTL1HPGD
SCHEMBL6688161 0.92 ALDH1A1 (0.64) IGLV6-57HSD17B3ALDH1A1L3MBTL1HPGD
SCHEMBL21457097 0.92 IGLV6-57 (0.67) IGLV6-57HSD17B3ALDH1A1L3MBTL1HPGD
SCHEMBL6688557 0.86 IGLV6-57 (0.76) IGLV6-57HSD17B3ALDH1A1L3MBTL1HPGD
SCHEMBL16563181 0.86 ALDH1A1 (0.51) IGLV6-57HSD17B3ALDH1A1L3MBTL1HPGD
SCHEMBL6690441 0.85 ALDH1A1 (0.73) IGLV6-57HSD17B3ALDH1A1L3MBTL1HPGD
SCHEMBL8122108 0.85 ALDH1A1 (0.75) IGLV6-57HSD17B3ALDH1A1L3MBTL1HPGD
SCHEMBL16563064 0.81 IGLV6-57 (0.72) IGLV6-57HSD17B3ALDH1A1L3MBTL1HPGD
SCHEMBL6689431 0.81 HSD17B3 (0.62) IGLV6-57HSD17B3ALDH1A1L3MBTL1HPGD
SCHEMBL3901017 0.80 ALDH1A1 (0.71) IGLV6-57HSD17B3ALDH1A1L3MBTL1HPGD

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