SCHEMBL21457064

SCHEMBL21457064

CCCN(CCC)c1ccc2c(CC)c(/C=C/c3ccc(C=O)cc3)c(=O)oc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGLV6-57 P01721 2/20 0.48
ALDH1A1 P00352 12/20 0.46
NPSR1 Q6W5P4 4/20 0.46
KDM4E B2RXH2 8/20 0.44
HTT P42858 5/20 0.44
TDP1 Q9NUW8 4/20 0.44
GLA P06280 6/20 0.43
ATM Q13315 6/20 0.43
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
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 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
SCHEMBL21457037 1.00 IGLV6-57 (0.48) IGLV6-57ALDH1A1NPSR1KDM4EHTT
SCHEMBL21457067 0.94 ALDH1A1 (0.45) IGLV6-57ALDH1A1NPSR1KDM4EHTT
SCHEMBL21457023 0.94 ALDH1A1 (0.45) IGLV6-57ALDH1A1NPSR1KDM4EHTT
SCHEMBL21481629 0.92 IGLV6-57 (0.46) IGLV6-57ALDH1A1NPSR1KDM4EHTT
SCHEMBL24861967 0.91 IGLV6-57 (0.42) IGLV6-57ALDH1A1NPSR1KDM4EHTT
SCHEMBL21457062 0.88 IGLV6-57 (0.52) IGLV6-57ALDH1A1NPSR1KDM4EHTT
SCHEMBL21457033 0.88 IGLV6-57 (0.52) IGLV6-57ALDH1A1NPSR1KDM4EHTT
SCHEMBL30171131 0.88 IGLV6-57 (0.52) IGLV6-57ALDH1A1NPSR1KDM4EHTT
SCHEMBL21457022 0.88 ALDH1A1 (0.43) IGLV6-57ALDH1A1NPSR1KDM4EHTT
SCHEMBL21457019 0.88 ALDH1A1 (0.43) IGLV6-57ALDH1A1NPSR1KDM4EHTT

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