SCHEMBL21456977

SCHEMBL21456977

C=Cc1c(C)c2ccc(N(CC)CC)cc2oc1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.67
KDM4E B2RXH2 9/20 0.67
HTT P42858 6/20 0.67
TDP1 Q9NUW8 4/20 0.67
GLA P06280 6/20 0.64
ATM Q13315 6/20 0.64
GAA P10253 2/20 0.64
KLK7 P49862 1/20 0.64
MAPT P10636 7/20 0.59
HPGD P15428 6/20 0.59
L3MBTL1 Q9Y468 5/20 0.59
HIF1A Q16665 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
CASP1 P29466 6/20 0.57
CASP7 P55210 6/20 0.57
HSD17B10 Q99714 6/20 0.57
LMNA P02545 2/20 0.57
THRB P10828 1/20 0.57
CYP3A4 P08684 3/20 0.57
MAPK1 P28482 2/20 0.57

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
SCHEMBL21457016 0.90 ALDH1A1 (0.54) ALDH1A1KDM4EHTTTDP1GLA
SCHEMBL11584450 0.89 ALDH1A1 (0.67) ALDH1A1KDM4EHTTTDP1GLA
SCHEMBL21457061 0.87 ALDH1A1 (0.53) ALDH1A1KDM4EHTTTDP1GLA
SCHEMBL21457084 0.86 CCR4 (0.53) ALDH1A1KDM4EHTTTDP1GLA
SCHEMBL11296750 0.86 ALDH1A1 (0.78) ALDH1A1KDM4EHTTTDP1GLA
SCHEMBL6965148 0.85 ALDH1A1 (0.62) ALDH1A1KDM4EHTTTDP1GLA
SCHEMBL11696904 0.83 ALDH1A1 (0.71) ALDH1A1KDM4EHTTTDP1GLA
SCHEMBL21456994 0.83 ALDH1A1 (0.59) ALDH1A1KDM4EHTTTDP1GLA
SCHEMBL12651890 0.82 ALDH1A1 (0.72) ALDH1A1KDM4EHTTTDP1GLA
Bromide SCHEMBL27894707 0.81 ALDH1A1 (0.68) ALDH1A1KDM4EHTTTDP1GLA

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 6 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-3747957-A1 FLUORESCENT VINYL TIOPHENE AND BITIOPHENE COUMARINS DYES AND METHOD OF SYNTHESIS THEREOF Universidade de Évora (PT) 2020-12-09 EP disclosed
EP-3747957-A1 FLUORESCENT VINYL TIOPHENE AND BITIOPHENE COUMARINS DYES AND METHOD OF SYNTHESIS THEREOF Universidade de Évora (PT) 2020-12-09 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