SCHEMBL18719783

SCHEMBL18719783

O=C(OCC1C2C=CC(C2)C1COC(=O)c1ccc2c(c1)-c1ccccc1C(=O)C2=O)c1ccc2c(c1)-c1ccccc1C(=O)C2=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
ALDH1A1 P00352 4/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HTT P42858 1/20 0.50
KDM4E B2RXH2 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
PTPRC P08575 6/20 0.48
S100A4 P26447 1/20 0.47
CTSL P07711 1/20 0.40
PTPN13 Q12923 1/20 0.40
TTR P02766 1/20 0.39
MAPK1 P28482 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL18719781 0.83 MAPT (0.50) MAPTALDH1A1NPC1RAB9ALMNA
SCHEMBL18719784 0.82 MAPT (0.51) MAPTALDH1A1NPC1RAB9ALMNA
SCHEMBL18719782 0.74 MAPT (0.47) MAPTALDH1A1NPC1RAB9ALMNA
SCHEMBL11148586 0.71 MAPT (0.63) MAPTALDH1A1NPC1RAB9ALMNA
SCHEMBL22381007 0.70 MAPT (0.89) MAPTALDH1A1NPC1RAB9ALMNA
SCHEMBL15080524 0.69 CHRNB2 (0.46) ALDH1A1NPC1RAB9ALMNAMAPK1
SCHEMBL11144098 0.69 MAPT (0.57) MAPTALDH1A1NPC1RAB9ALMNA
SCHEMBL24590032 0.68 ALDH1A1 (0.52) MAPTALDH1A1RAB9ALMNAHTT
SCHEMBL2268884 0.68 MAPT (0.75) MAPTALDH1A1NPC1RAB9ALMNA
SCHEMBL4919505 0.68 MAPT (0.62) MAPTALDH1A1NPC1RAB9ALMNA

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
US-20170104214-A1 FUSED-RING QUINONE-SUBSTITUTED POLYNORBORNENE, ELECTRODE ACTIVE MATERIAL AND SECONDARY BATTERY WASEDA UNIVERSITY (JP) 2017-04-13 US disclosed
US-20170104214-A1 FUSED-RING QUINONE-SUBSTITUTED POLYNORBORNENE, ELECTRODE ACTIVE MATERIAL AND SECONDARY BATTERY WASEDA UNIVERSITY (JP) 2017-04-13 US disclosed