SCHEMBL441835

SCHEMBL441835

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)COC(=O)/C=C\C(=O)OCC(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
ATM Q13315 2/20 0.53
HCAR2 Q8TDS4 4/20 0.53
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
TDP1 Q9NUW8 2/20 0.49
CYP3A4 P08684 2/20 0.47
LMNA P02545 1/20 0.47
ZDHHC7 Q9NXF8 1/20 0.46
GPR84 Q9NQS5 3/20 0.42
FFAR1 O14842 1/20 0.42
ZDHHC20 Q5W0Z9 2/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
CA2 P00918 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL30792602 1.00 TSHR (0.57) TSHRATMHCAR2PRSS1PRSS2
SCHEMBL445010 1.00 TSHR (0.57) TSHRATMHCAR2PRSS1PRSS2
SCHEMBL445475 1.00 TSHR (0.57) TSHRATMHCAR2PRSS1PRSS2
SCHEMBL3712982 0.98 TSHR (0.60) TSHRATMHCAR2PRSS1PRSS2
SCHEMBL3712986 0.98 TSHR (0.60) TSHRATMHCAR2PRSS1PRSS2
SCHEMBL6722524 0.94 TSHR (0.56) TSHRATMHCAR2PRSS1PRSS2
SCHEMBL443504 0.94 TSHR (0.56) TSHRATMHCAR2PRSS1PRSS2
SCHEMBL6722551 0.94 TSHR (0.56) TSHRATMHCAR2PRSS1PRSS2
SCHEMBL10782636 0.90 TSHR (0.49) TSHRATMHCAR2PRSS1PRSS2
SCHEMBL10783818 0.90 TSHR (0.49) TSHRATMHCAR2PRSS1PRSS2

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 5 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