SCHEMBL3624809

SCHEMBL3624809

CCCOc1cc(OCCC)c(-c2ccc(-c3c(OCCC)cc(OCCC)cc3OCCC)cc2)c(OCCC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.43
MGAM O43451 5/20 0.43
SI P14410 5/20 0.43
MGAM2 Q2M2H8 5/20 0.43
ALDH1A1 P00352 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 3/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 3/20 0.42
KMT2A Q03164 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
CASP1 P29466 1/20 0.42
HTT P42858 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 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
SCHEMBL16575404 0.91 ADORA3 (0.51) MAPTKMT2AADORA3MEN1LTA4H
SCHEMBL13863862 0.88 CSNK2A1 (0.39) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL91982 0.86 RARA (0.38) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL13186042 0.82 LMNA (0.44) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL91835 0.82 RARA (0.36) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL14640143 0.81 LMNA (0.43) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL13186040 0.81 LMNA (0.43) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL91910 0.80 ADORA3 (0.35) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL14075505 0.79 FFAR1 (0.35) GAAALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL91924 0.78 PTPN11 (0.41) GAARAB9ANPC1KMT2AMEN1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2906662-B1 EMITTER AND HOSTS WITH AROMATIC UNITS MERCK PATENT GMBH (DE) 2020-04-01 EP disclosed
US-20150303397-A1 INORGANIC BARRIER LAYERS MERCK PATENT GMBH (DE) 2015-10-22 US disclosed
US-20150303397-A1 INORGANIC BARRIER LAYERS MERCK PATENT GMBH (DE) 2015-10-22 US disclosed
US-20150270489-A1 EMITTER AND HOSTS WITH AROMATIC UNITS MERCK PATENT GMBH (DE) 2015-09-24 US disclosed
US-20150270489-A1 EMITTER AND HOSTS WITH AROMATIC UNITS MERCK PATENT GMBH (DE) 2015-09-24 US disclosed
EP-1739151-B1 Mesogenic compounds, liquid crystal medium and liquid display MERCK PATENT GMBH (DE) 2010-09-15 EP disclosed
EP-1739151-B1 Mesogenic compounds, liquid crystal medium and liquid display MERCK PATENT GMBH (DE) 2010-09-15 EP disclosed
EP-1739151-A1 Mesogenic compounds, liquid crystal medium and liquid display MERCK PATENT GmbH (DE) 2007-01-03 EP disclosed
EP-1739151-A1 Mesogenic compounds, liquid crystal medium and liquid display MERCK PATENT GmbH (DE) 2007-01-03 EP disclosed