SCHEMBL21456989

SCHEMBL21456989

CCCCN(CCCC)c1ccc2c(CC)c(/C=C/c3ccc(C(=O)OC)cc3)c(=O)oc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 7/20 0.41
GLA P06280 5/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
ATM Q13315 3/20 0.41
HTT P42858 3/20 0.41
HSD17B10 Q99714 3/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 3/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
THRB P10828 1/20 0.41
SRC P12931 2/20 0.41
GAA P10253 2/20 0.39
KLK7 P49862 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
KMT2A Q03164 6/20 0.38
MEN1 O00255 5/20 0.38
NPSR1 Q6W5P4 2/20 0.36
PTPN1 P18031 1/20 0.36

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
SCHEMBL21457060 1.00 ALDH1A1 (0.41) ALDH1A1KDM4EGLAL3MBTL1ATM
SCHEMBL21457077 0.95 ALDH1A1 (0.41) ALDH1A1KDM4EGLAL3MBTL1ATM
SCHEMBL21457093 0.95 ALDH1A1 (0.41) ALDH1A1KDM4EGLAL3MBTL1ATM
SCHEMBL21457003 0.90 ALDH1A1 (0.46) ALDH1A1KDM4EGLAL3MBTL1ATM
SCHEMBL21457048 0.90 ALDH1A1 (0.46) ALDH1A1KDM4EGLAL3MBTL1ATM
SCHEMBL21457079 0.90 SRC (0.45) ALDH1A1KDM4EGLAL3MBTL1ATM
SCHEMBL21457014 0.90 SRC (0.45) ALDH1A1KDM4EGLAL3MBTL1ATM
SCHEMBL21456999 0.88 MEN1 (0.41) ALDH1A1KDM4EGLAL3MBTL1ATM
SCHEMBL21456972 0.88 MEN1 (0.41) ALDH1A1KDM4EGLAL3MBTL1ATM
SCHEMBL21457023 0.86 ALDH1A1 (0.45) ALDH1A1KDM4EGLAL3MBTL1ATM

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