SCHEMBL20354554

SCHEMBL20354554

COc1cc(N2CCCCC2)ccc1Cc1c(OC)cc(N2CCCCC2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
LMNA P02545 1/20 0.50
MAPT P10636 5/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPK1 P28482 3/20 0.46
HTT P42858 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
TSHR P16473 3/20 0.46
ALOX15 P16050 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
GAA P10253 2/20 0.46
HIF1A Q16665 3/20 0.43
SLC16A3 O15427 2/20 0.43
SLC16A1 P53985 2/20 0.43
NPC1 O15118 2/20 0.43
TP53 P04637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PABPC1 P11940 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 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
SCHEMBL20338939 0.85 ALDH1A1 (0.50) ALDH1A1LMNAMAPTKDM4EMAPK1
SCHEMBL20354532 0.85 MEN1 (0.50) ALDH1A1MAPTKDM4EMAPK1HTT
SCHEMBL12806687 0.83 ALDH1A1 (0.60) ALDH1A1LMNAMAPTKDM4EMAPK1
SCHEMBL28860292 0.79 ALDH1A1 (0.63) ALDH1A1LMNAMAPTKDM4EMAPK1
SCHEMBL7303075 0.77 ALDH1A1 (0.65) ALDH1A1LMNAMAPTKDM4EMAPK1
SCHEMBL12856135 0.76 ALDH1A1 (0.59) ALDH1A1LMNAMAPTKDM4EMAPK1
SCHEMBL10408441 0.74 FGFR1 (0.59) ALDH1A1LMNAMAPTKDM4EMAPK1
SCHEMBL807418 0.74 ALDH1A1 (0.58) ALDH1A1LMNAMAPTTSHRHIF1A
SCHEMBL12625177 0.74 ALDH1A1 (0.58) ALDH1A1LMNAMAPTKDM4EMAPK1
SCHEMBL10128598 0.74 ALDH1A1 (0.59) ALDH1A1LMNAMAPTKDM4EMAPK1

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