SCHEMBL21457072

SCHEMBL21457072

CCc1c(/C=C/c2ccc(/C=C/c3ccc(C(=O)O)cc3)cc2)c(=O)oc2cc(N(C)C)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.42
MTHFD1 P11586 1/20 0.40
MTHFD2 P13995 1/20 0.40
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
HTT P42858 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 2/20 0.38
GLA P06280 2/20 0.38
ATM Q13315 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NQO1 P15559 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38

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 1.00 SLC16A3 (0.42) SLC16A3MTHFD1MTHFD2KDM4EALDH1A1
SCHEMBL21485404 0.90 ESR1 (0.46) KDM4EMAPTMEN1KMT2ANQO1
SCHEMBL21456998 0.89 ALDH1A1 (0.41) SLC16A3KDM4EALDH1A1HTTTDP1
SCHEMBL21456986 0.89 ALDH1A1 (0.41) SLC16A3KDM4EALDH1A1HTTTDP1
SCHEMBL21456999 0.89 MEN1 (0.41) SLC16A3KDM4EALDH1A1HTTTDP1
SCHEMBL21456972 0.89 MEN1 (0.41) SLC16A3KDM4EALDH1A1HTTTDP1
SCHEMBL21456971 0.88 SLC16A3 (0.44) SLC16A3KDM4EALDH1A1HTTTDP1
SCHEMBL21457014 0.87 SRC (0.45) SLC16A3KDM4EALDH1A1HTTTDP1
SCHEMBL21457019 0.87 ALDH1A1 (0.43) KDM4EALDH1A1HTTTDP1MAPT
SCHEMBL21457022 0.87 ALDH1A1 (0.43) KDM4EALDH1A1HTTTDP1MAPT

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