SCHEMBL1961638

SCHEMBL1961638

CCCCCCCCCCC(C#N)(CCCC)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.40
GPR84 Q9NQS5 7/20 0.39
PPARG P37231 7/20 0.39
PPARD Q03181 7/20 0.39
PPARA Q07869 7/20 0.39
HDAC11 Q96DB2 5/20 0.39
TSHR P16473 4/20 0.39
PTPN1 P18031 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TLR2 O60603 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
FABP4 P15090 2/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
MEN1 O00255 1/20 0.39
ESR1 P03372 1/20 0.39
ALOX15 P16050 1/20 0.39
PDE4A P27815 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE3A Q14432 1/20 0.39

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
SCHEMBL7703895 0.94 AKR1B1 (0.34) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL8336738 0.91 CES2 (0.39) CES2GPR84PPARGPPARDPPARA
SCHEMBL27989962 0.87 ALDH1A1 (0.31) ALDH1A1
SCHEMBL18784330 0.84 ALDH1A1 (0.54) PPARGPPARDPPARATSHRALDH1A1
SCHEMBL18784333 0.84 ALDH1A1 (0.54) PPARGPPARDPPARATSHRALDH1A1
SCHEMBL22023009 0.84 ALDH1A1 (0.54) PPARGPPARDPPARATSHRALDH1A1
SCHEMBL22023010 0.84 ALDH1A1 (0.54) PPARGPPARDPPARATSHRALDH1A1
Water SCHEMBL31084442 0.81 MCL1 (0.34) TSHRALDH1A1MEN1KMT2A
SCHEMBL4734754 0.81 MCL1 (0.34) TSHRALDH1A1MEN1KMT2A
SCHEMBL7707030 0.80 CTSS (0.33) TSHR

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