SCHEMBL21457075

SCHEMBL21457075

CCCN(CCC)c1ccc2c(CC)c(/C=C/c3ccc(C(=O)O)c(C)c3)c(=O)oc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGLV6-57 P01721 3/20 0.42
ALDH1A1 P00352 8/20 0.41
KDM4E B2RXH2 6/20 0.41
HTT P42858 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
ATM Q13315 5/20 0.40
HSD17B10 Q99714 4/20 0.40
GLA P06280 4/20 0.40
CASP1 P29466 3/20 0.40
CASP7 P55210 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
MAPT P10636 3/20 0.40
SRC P12931 2/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 2/20 0.40
ALOX15 P16050 2/20 0.40
THRB P10828 1/20 0.40
SLC16A3 O15427 1/20 0.40
SLC16A1 P53985 1/20 0.40
SMN1; SMN2 Q16637 1/20 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
SCHEMBL21456988 0.95 SRC (0.45) IGLV6-57ALDH1A1KDM4EHTTTDP1
SCHEMBL21457076 0.91 ALDH1A1 (0.44) IGLV6-57ALDH1A1KDM4EHTTTDP1
SCHEMBL21456971 0.90 SLC16A3 (0.44) IGLV6-57ALDH1A1KDM4EHTTTDP1
SCHEMBL21456998 0.89 ALDH1A1 (0.41) IGLV6-57ALDH1A1KDM4EHTTTDP1
SCHEMBL21456986 0.89 ALDH1A1 (0.41) IGLV6-57ALDH1A1KDM4EHTTTDP1
SCHEMBL21457090 0.85 SRC (0.48) IGLV6-57ALDH1A1KDM4EHTTTDP1
SCHEMBL21481629 0.85 IGLV6-57 (0.46) IGLV6-57ALDH1A1KDM4EHTTTDP1
SCHEMBL21457014 0.83 SRC (0.45) IGLV6-57ALDH1A1KDM4EHTTTDP1
SCHEMBL21457079 0.83 SRC (0.45) IGLV6-57ALDH1A1KDM4EHTTTDP1
SCHEMBL21457037 0.83 IGLV6-57 (0.48) IGLV6-57ALDH1A1KDM4EHTTTDP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3553054-A1 FLUORESCENT COUMARIN COMPOUNDS AND METHOD OF SYNTHESIS THEREOF Universidade de Évora (PT) 2019-10-16 EP disclosed