SCHEMBL3624743

SCHEMBL3624743

CCCCc1ccc(OB(O)O)c(CCCC)c1CCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.39
LIPG Q9Y5X9 2/20 0.38
NCEH1 Q6PIU2 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ALOX5 P09917 2/20 0.34
PTGS2 P35354 1/20 0.34
HTT P42858 2/20 0.33
TSHR P16473 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL29278307 0.95 LIPG (0.44) TYRLIPGALOX5PTGS2HTT
SCHEMBL3617262 0.94 LIPG (0.46) TYRLIPGALOX5PTGS2HTT
SCHEMBL3627074 0.86 NCEH1 (0.33) LIPGNCEH1ALOX5HPGDLPL
SCHEMBL3624741 0.86 TYR (0.37) TYRLIPGNCEH1CA1CA2
SCHEMBL28916682 0.82 TYR (0.41) TYRNCEH1ALOX5PTGS2HTT
SCHEMBL10419164 0.82 TYR (0.34) TYRLIPGNCEH1ALOX5PTGS2
Tetrylammonium SCHEMBL10784310 0.81 TYR (0.33) TYRLIPGNCEH1CA1CA2
SCHEMBL3617260 0.80 TYR (0.42) TYRLIPGALOX5PTGS2HTT
Ethylene Glycol SCHEMBL21611851 0.79 TYR (0.41) TYRNCEH1ALOX5PTGS2HTT
SCHEMBL5859430 0.79 MAPT (0.40) TYRLIPGCA1CA2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7648947-B2 Lubricating oil composition for internal combustion engine NIPPON OIL CORPORATION (JP) 2010-01-19 US disclosed
US-20090071693-A1 NEGATIVE PHOTOSENSITIVE MATERIAL AND CIRCUIT BOARD MITSUI CHEMICALS, INC. (JP) 2009-03-19 US disclosed
US-20080020952-A1 Lubricant Composition NIPPON OIL CORPORATION (JP) 2008-01-24 US disclosed
EP-1835013-A1 LUBRICATING OIL COMPOSITION Nippon Oil Corporation (JP) 2007-09-19 EP disclosed
US-20050245402-A1 Lubricating oil composition for internal combustion engine NIPPON OIL CORPORATION (JP) 2005-11-03 US disclosed
EP-1535985-A1 LUBRICATING OIL COMPOSITION FOR INTERNAL COMBUSTION ENGINE Nippon Oil Corporation (JP) 2005-06-01 EP disclosed
US-4281173-A Preparation of unsaturated diesters by catalytic oxidative carbonylation of diolefins ATLANTIC RICHFIELD COMPANY (US) 1981-07-28 US disclosed
US-4195184-A Preparation of unsaturated monoesters by catalytic oxidative carbonylation of diolefins ATLANTIC RICHFIELD COMPANY (US) 1980-03-25 US disclosed
US-4189599-A Preparation of dimethyl adipate by the hydrogenation of dimethyl hex-3-endioate ATLANTIC RICHFIELD COMPANY (US) 1980-02-19 US disclosed
US-4171450-A Preparation of unsaturated diesters by catalytic oxidative carbonylation of diolefins ATLANTIC RICHFIELD COMPANY (US) 1979-10-16 US disclosed
US-4041068-A AS CATALYST A PALLADIUM, PLATINUM OR RHODIUM SALT WITH AN AMINE AND AN ALCOHOL ATLANTIC RICHFIELD COMPANY (US) 1977-08-09 US disclosed