SCHEMBL8466286

SCHEMBL8466286

O=C1Sc2ccccc2C(=O)C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.48
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 4/20 0.48
HSD17B10 Q99714 1/20 0.48
TYMS P04818 1/20 0.48
MEN1 O00255 9/20 0.48
KMT2A Q03164 9/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
RAB9A P51151 4/20 0.48
POLB P06746 4/20 0.48
MAPK1 P28482 2/20 0.48
NPC1 O15118 2/20 0.48
RECQL P46063 2/20 0.48
CES1 P23141 2/20 0.48
PTPRC P08575 2/20 0.48
APAF1 O14727 2/20 0.48
CES2 O00748 1/20 0.48
TERT O14746 1/20 0.48
PLIN1 O60240 1/20 0.48
TDP2 O95551 1/20 0.48

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
SCHEMBL95004 0.93 MAPT (0.50) MAPTKDM4EALDH1A1HSD17B10TYMS
SCHEMBL13851887 0.80 MAPT (0.44) MAPTKDM4EALDH1A1HSD17B10TYMS
SCHEMBL29406202 0.78 MAPT (0.50) MAPTKDM4EALDH1A1HSD17B10TYMS
SCHEMBL18537836 0.78 TYMS (0.50) MAPTKDM4EALDH1A1HSD17B10TYMS
SCHEMBL41631 0.78 MAPT (0.50) MAPTKDM4EALDH1A1HSD17B10TYMS
SCHEMBL1105125 0.78 MAPT (0.50) MAPTKDM4EALDH1A1HSD17B10TYMS
SCHEMBL11919733 0.78 TYMS (0.50) MAPTKDM4EALDH1A1HSD17B10TYMS
SCHEMBL41632 0.78 MAPT (0.50) MAPTKDM4EALDH1A1HSD17B10TYMS
SCHEMBL29391183 0.78 MAPT (0.50) MAPTKDM4EALDH1A1HSD17B10TYMS
SCHEMBL24186408 0.77 MAPT (0.47) MAPTKDM4EALDH1A1HSD17B10TYMS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0759040-B1 CARBONYL CONTAINING COMPOUNDS AND THEIR DERIVATIVES AS MULTI-FUNCTIONAL FUEL AND LUBE ADDITIVES EXXON RESEARCH ENGINEERING CO (US) 1999-01-27 EP disclosed
US-5646098-A Carbonyl containing compounds and their derivatives as multi-functional fuel and lube additives EXXON CHEMICAL PATENTS INC (US) 1997-07-08 US disclosed
EP-0759040-A1 CARBONYL CONTAINING COMPOUNDS AND THEIR DERIVATIVES AS MULTI-FUNCTIONAL FUEL AND LUBE ADDITIVES EXXON RESEARCH AND ENGINEERING COMPANY (US) 1997-02-26 EP disclosed
WO-1995031488-A1 CARBONYL CONTAINING COMPOUNDS AND THEIR DERIVATIVES AS MULTI-FUNCTIONAL FUEL AND LUBE ADDITIVES EXXON RESEARCH AND ENGINEERING COMPANY (US) 1995-11-23 WO disclosed