SCHEMBL5049580

SCHEMBL5049580

CCCCCCCCOCCCCCCCC.Cn1ccnc1CO

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
THRB P10828 1/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 1/20 0.43
TLR8 Q9NR97 2/20 0.37
FDPS P14324 1/20 0.37
GBA2 Q9HCG7 12/20 0.36
GBA1 P04062 7/20 0.36

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
SCHEMBL5049576 0.84 KMT2A (0.42) MEN1KMT2ATHRBHTTTLR8
SCHEMBL5964179 0.84 KMT2A (0.42) MEN1KMT2ATHRBHTTTLR8
SCHEMBL28841367 0.84 KMT2A (0.42) MEN1KMT2ATHRBHTTTLR8
SCHEMBL20230 0.80
Hydrochloric Acid SCHEMBL1190025 0.78
SCHEMBL28464676 0.78 CES2 (0.40) MEN1KMT2ATHRBHTTMAPT
SCHEMBL501771 0.78 L3MBTL1 (0.51) MEN1KMT2ATHRBHTTMAPT
SCHEMBL27841536 0.77 CHRNB2 (0.40) MEN1KMT2ATHRBHTTMAPT
SCHEMBL1898631 0.75 TLR8 (0.44) MEN1KMT2ATLR8FDPS
SCHEMBL2229133 0.75 TLR8 (0.44) MEN1KMT2ATLR8FDPS

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
CN-102149797-A Fuel composition with improved low temperature properties INNOSPEC FUEL SPECIALTIES LLC 2011-08-10 CN disclosed
WO-2008086337-A2 SYNERGISTIC FUEL COMPOSITION FOR ENHANCING FUEL COLD FLOW PROPERTIES INNOSPEC FUEL SPECIALTIES LLC (US) 2008-07-17 WO disclosed
US-6750184-B2 WITH DIPHENYLAMINES AND ZINC DITHIOPHOSPHATES; SUPERIOR ANTIOXIDATIVE PROPERTIES; RESISTS SLUDGE FORMATION CIBA SPECIALTY CHEMICALS CORPORATION 2004-06-15 US disclosed
US-4869838-A LUBRICANTS EXXON RESEARCH AND ENGINEERING COMPANY (US) 1989-09-26 US disclosed