SCHEMBL445161

SCHEMBL445161

CCCC(C)COC(=O)/C=C\C(=O)OCC(C)CCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.47
HCAR2 Q8TDS4 6/20 0.44
TSHR P16473 4/20 0.43
TDP1 Q9NUW8 3/20 0.38
MAPT P10636 2/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP3A4 P08684 1/20 0.34
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL445162 1.00 ATM (0.47) ATMHCAR2TSHRTDP1MAPT
SCHEMBL11741179 1.00 ATM (0.47) ATMHCAR2TSHRTDP1MAPT
SCHEMBL11741181 0.93 HCAR2 (0.56) ATMHCAR2TSHRTDP1CHRM1
SCHEMBL28327568 0.90 ATM (0.38) ATMHCAR2TSHRTDP1MAPT
SCHEMBL28586115 0.89 MAPT (0.39) ATMHCAR2TSHRTDP1MAPT
SCHEMBL29220228 0.88 ATM (0.53) ATMHCAR2TSHRTDP1MAPT
SCHEMBL6790196 0.86 TSHR (0.39) ATMHCAR2TSHRTDP1MAPT
SCHEMBL440949 0.85 HCAR2 (0.50) ATMHCAR2TSHRTDP1MAPT
SCHEMBL440948 0.85 HCAR2 (0.50) ATMHCAR2TSHRTDP1MAPT
SCHEMBL440415 0.85 HCAR2 (0.50) ATMHCAR2TSHRTDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2398874-B1 COMPOUNDS AND A METHOD OF LUBRICATING AN INTERNAL COMBUSTION ENGINE LUBRIZOL CORP (US) 2017-04-26 EP disclosed
US-8835368-B2 Compounds and a method of lubricating an internal combustion engine THE LUBRIZOL CORPORATION (US) 2014-09-16 US disclosed
US-20120065110-A1 Compounds and a Method of Lubricating an Internal Combustion Engine THE LUBRIZOL CORPORATION (US) 2012-03-15 US disclosed
EP-2398874-A1 COMPOUNDS AND A METHOD OF LUBRICATING AN INTERNAL COMBUSTION ENGINE The Lubrizol Corporation (US) 2011-12-28 EP disclosed
WO-2010096291-A1 COMPOUNDS AND A METHOD OF LUBRICATING AN INTERNAL COMBUSTION ENGINE THE LUBRIZOL CORPORATION (US) 2010-08-26 WO disclosed
US-4048130-A COPOLYMERIZATION, UNSATURATED ACIDS LONZA LTD. (CH) 1977-09-13 US disclosed