SCHEMBL21457090

SCHEMBL21457090

CCCCN(CCCC)c1ccc2c(C)c(/C=C/c3ccc(C(=O)O)c(C)c3)c(=O)oc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.48
ALDH1A1 P00352 10/20 0.45
KDM4E B2RXH2 7/20 0.45
GAA P10253 3/20 0.45
POLB P06746 1/20 0.45
GLA P06280 4/20 0.44
ATM Q13315 4/20 0.44
HSD17B10 Q99714 4/20 0.44
HTT P42858 3/20 0.44
MAPT P10636 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
CASP1 P29466 3/20 0.44
CASP7 P55210 3/20 0.44
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
KLK7 P49862 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
HPGD P15428 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
SLC16A3 O15427 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
SCHEMBL21457076 0.94 ALDH1A1 (0.44) SRCALDH1A1KDM4EGAAPOLB
SCHEMBL21456988 0.91 SRC (0.45) SRCALDH1A1KDM4EGAAPOLB
SCHEMBL21456993 0.90 SRC (0.50) SRCALDH1A1KDM4EGAAPOLB
SCHEMBL21457101 0.90 SRC (0.50) SRCALDH1A1KDM4EGAAPOLB
SCHEMBL21457015 0.86 SLC16A3 (0.47) ALDH1A1KDM4EGAAGLAATM
SCHEMBL21457075 0.85 IGLV6-57 (0.42) SRCALDH1A1KDM4EGAAPOLB
SCHEMBL24862093 0.84 SRC (0.47) SRCALDH1A1KDM4EGAAPOLB
SCHEMBL21457108 0.84 ALDH1A1 (0.47) SRCALDH1A1KDM4EGAAGLA
SCHEMBL21457050 0.84 ALDH1A1 (0.47) SRCALDH1A1KDM4EGAAGLA
SCHEMBL21456981 0.84 ALDH1A1 (0.49) SRCALDH1A1KDM4EGAAGLA

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