SCHEMBL1961074

SCHEMBL1961074

CCCCCCSC(=O)CC#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 6/20 0.42
GMNN O75496 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
CYP2C9 P11712 1/20 0.42
BLM P54132 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ACHE P22303 3/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
EPHX1 P07099 1/20 0.39
MCL1 Q07820 2/20 0.38
CES1 P23141 7/20 0.38
FAAH O00519 4/20 0.38
PLA2G6 O60733 1/20 0.38
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.35

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
SCHEMBL1959038 1.00 CES2 (0.42) CES2GMNNTP53POLBMAPT
SCHEMBL1959466 1.00 CES2 (0.42) CES2GMNNTP53POLBMAPT
SCHEMBL1961257 1.00 CES2 (0.42) CES2GMNNTP53POLBMAPT
SCHEMBL1958543 1.00 CES2 (0.42) CES2GMNNTP53POLBMAPT
SCHEMBL1960952 1.00 CES2 (0.42) CES2GMNNTP53POLBMAPT
SCHEMBL1961076 1.00 CES2 (0.42) CES2GMNNTP53POLBMAPT
SCHEMBL1961493 1.00 CES2 (0.42) CES2GMNNTP53POLBMAPT
SCHEMBL14120172 1.00 CES2 (0.42) CES2GMNNTP53POLBMAPT
SCHEMBL14119719 1.00 CES2 (0.42) CES2GMNNTP53POLBMAPT
SCHEMBL1958377 1.00 CES2 (0.42) CES2GMNNTP53POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9976103-B2 Lubricating composition containing an antiwear agent THE LUBRIZOL CORPORATION (US) 2018-05-22 US disclosed
EP-2513269-B1 LUBRICATING COMPOSITION CONTAINING AN ANTIWEAR AGENT LUBRIZOL CORP (US) 2017-10-25 EP disclosed
US-9708563-B2 Lubricating composition containing an antiwear agent THE LUBRIZOL CORPORATION (US) 2017-07-18 US disclosed
US-20150267140-A1 LUBRICATING COMPOSITION CONTAINING AN ANTIWEAR AGENT LUBRIZOL CORP (US) 2015-09-24 US disclosed
US-20130172221-A1 Lubricating Composition Containing an Antiwear Agent THE LUBRIZOL CORPORATION (US) 2013-07-04 US disclosed
US-20120309657-A1 Lubricating Composition Containing an Antiwear Agent THE LUBRIZOL CORPORATION (US) 2012-12-06 US disclosed
EP-2513272-A1 LUBRICATING COMPOSITION CONTAINING AN ANTIWEAR AGENT The Lubrizol Corporation (US) 2012-10-24 EP disclosed
EP-2513269-A1 LUBRICATING COMPOSITION CONTAINING AN ANTIWEAR AGENT The Lubrizol Corporation (US) 2012-10-24 EP disclosed
WO-2011081835-A1 LUBRICATING COMPOSITION CONTAINING AN ANTIWEAR AGENT THE LUBRIZOL CORPORATION (US) 2011-07-07 WO disclosed
WO-2011075403-A1 LUBRICATING COMPOSITION CONTAINING AN ANTIWEAR AGENT THE LUBRIZOL CORPORATION (US) 2011-06-23 WO disclosed