SCHEMBL1958992

SCHEMBL1958992

CCCCSC(=O)CC#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.41
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
ALDH1A1 P00352 5/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
CES1 P23141 3/20 0.34
TDP1 Q9NUW8 2/20 0.33
ACHE P22303 1/20 0.33
CES2 O00748 2/20 0.32
TP53 P04637 2/20 0.32
MAPT P10636 2/20 0.32
HSD17B10 Q99714 2/20 0.32
POLB P06746 2/20 0.32
GMNN O75496 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL1959466 0.92 CES2 (0.42) MCL1ALDH1A1GAATSHRZDHHC20
SCHEMBL14119719 0.92 CES2 (0.42) MCL1ALDH1A1GAATSHRZDHHC20
SCHEMBL1961257 0.92 CES2 (0.42) MCL1ALDH1A1GAATSHRZDHHC20
SCHEMBL1961076 0.92 CES2 (0.42) MCL1ALDH1A1GAATSHRZDHHC20
SCHEMBL1958543 0.92 CES2 (0.42) MCL1ALDH1A1GAATSHRZDHHC20
SCHEMBL1961493 0.92 CES2 (0.42) MCL1ALDH1A1GAATSHRZDHHC20
SCHEMBL1959038 0.92 CES2 (0.42) MCL1ALDH1A1GAATSHRZDHHC20
SCHEMBL14120172 0.92 CES2 (0.42) MCL1ALDH1A1GAATSHRZDHHC20
SCHEMBL1960952 0.92 CES2 (0.42) MCL1ALDH1A1GAATSHRZDHHC20
SCHEMBL1961074 0.92 CES2 (0.42) MCL1ALDH1A1GAATSHRZDHHC20

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-2513269-A1 LUBRICATING COMPOSITION CONTAINING AN ANTIWEAR AGENT The Lubrizol Corporation (US) 2012-10-24 EP disclosed
EP-2513272-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