SCHEMBL21485404

SCHEMBL21485404

CCc1c(/C=C/c2ccc(/C=C/C(=O)O)cc2)c(=O)oc2cc(N(C)C)ccc12

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 19/20 0.46
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
NQO1 P15559 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42

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
SCHEMBL21457045 0.90 SLC16A3 (0.42) ESR1KDM4EMEN1MAPTNQO1
SCHEMBL21457072 0.90 SLC16A3 (0.42) ESR1KDM4EMEN1MAPTNQO1
SCHEMBL21481665 0.87 SRC (0.45) ESR1KDM4EMAPT
SCHEMBL21457022 0.87 ALDH1A1 (0.43) ESR1KDM4EMEN1MAPTNQO1
SCHEMBL21457019 0.87 ALDH1A1 (0.43) ESR1KDM4EMEN1MAPTNQO1
SCHEMBL21485401 0.86 ESR1 (0.47) ESR1KDM4EMEN1MAPTNQO1
SCHEMBL21481282 0.86 ESR1 (0.47) ESR1KDM4EMEN1MAPTNQO1
SCHEMBL21456999 0.85 MEN1 (0.41) KDM4EMEN1MAPTNQO1RECQL
SCHEMBL21456972 0.85 MEN1 (0.41) KDM4EMEN1MAPTNQO1RECQL
SCHEMBL21456971 0.84 SLC16A3 (0.44) ESR1KDM4EMAPT

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