SCHEMBL20354532

SCHEMBL20354532

COc1cc(N2CCOCC2)ccc1Cc1c(OC)cc(N2CCOCC2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
THRB P10828 2/20 0.50
GAA P10253 2/20 0.48
ALDH1A1 P00352 6/20 0.47
HPGD P15428 3/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 6/20 0.47
KDM4E B2RXH2 3/20 0.47
HTT P42858 1/20 0.47
HIF1A Q16665 2/20 0.46
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LRRK2 Q5S007 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
INSR P06213 1/20 0.44
ALK Q9UM73 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL20338950 0.86 ALDH1A1 (0.48) MEN1KMT2ATHRBGAAALDH1A1
SCHEMBL13634389 0.85 MEN1 (0.52) MEN1KMT2ATHRBGAAALDH1A1
SCHEMBL20354554 0.85 ALDH1A1 (0.52) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL19500869 0.80 HIF1A (0.62) MEN1KMT2ATHRBGAAALDH1A1
SCHEMBL1911848 0.77 MEN1 (0.56) MEN1KMT2ATHRBGAAALDH1A1
SCHEMBL24590200 0.77 LRRK2 (0.61) MEN1KMT2ATHRBGAAALDH1A1
SCHEMBL21553383 0.77 KDM4E (0.44) MEN1KMT2ATHRBGAAALDH1A1
SCHEMBL20354551 0.77 MAPT (0.50) MEN1KMT2AGAAALDH1A1HPGD
SCHEMBL4291936 0.76 ALDH1A1 (0.60) MEN1KMT2ATHRBALDH1A1HPGD
SCHEMBL24992440 0.76 MEN1 (0.54) MEN1KMT2ATHRBGAAALDH1A1

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-3562817-B1 ORGANIC MATERIALS WITH SPECIAL OPTICAL EFFECTS CENTRE NAT RECH SCIENT (FR) 2023-11-15 EP disclosed
WO-2018122359-A1 ORGANIC MATERIALS WITH SPECIAL OPTICAL EFFECTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2018-07-05 WO disclosed