SCHEMBL8318905

SCHEMBL8318905

CCOC(C)Oc1ccc([S+](c2ccc(OC(C)OCC)cc2)c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
MCL1 Q07820 1/20 0.37
SLC2A1 P11166 1/20 0.36
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35
APP P05067 4/20 0.35
TSHR P16473 3/20 0.34
GAA P10253 2/20 0.33
RAB9A P51151 1/20 0.33
ALOX15 P16050 1/20 0.33
ACACB O00763 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PTGES O14684 1/20 0.31

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
SCHEMBL8322763 0.89 LMNA (0.41) LMNA
SCHEMBL8317774 0.86 MAPT (0.34) ALDH1A1HSD17B10LMNAMAPTKDM4E
SCHEMBL6140704 0.86 MAPT (0.37) ALDH1A1LMNAMAPTTP53MCL1
SCHEMBL6140175 0.86 MAPT (0.37) ALDH1A1LMNAMAPTTP53MCL1
SCHEMBL8643870 0.85 KDM4E (0.31) ALDH1A1HSD17B10LMNAMAPTKDM4E
SCHEMBL279470 0.80 LMNA (0.42) ALDH1A1HSD17B10LMNAMAPTKDM4E
SCHEMBL8317348 0.80 ALDH1A1 (0.32) ALDH1A1HSD17B10LMNAMAPTKDM4E
SCHEMBL8319785 0.79
SCHEMBL3852488 0.78 LMNA (0.52) LMNATSHRTDP1
SCHEMBL279014 0.76 LMNA (0.38) LMNAMAPTMAOBMAOAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5880169-A HAVING HIGH RESOLUTION FOR FINE PATTERNING SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-03-09 US disclosed