SCHEMBL1962379

SCHEMBL1962379

CCCCN(CCCC)C(=O)CC#N

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA9 Q16790 3/20 0.47
ZDHHC20 Q5W0Z9 3/20 0.45
ZDHHC2 Q9UIJ5 1/20 0.45
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
MMP8 P22894 1/20 0.44
SIGMAR1 Q99720 1/20 0.40
MCL1 Q07820 3/20 0.39
ALDH1A1 P00352 4/20 0.38
ALDH2 P05091 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.36
HPGD P15428 1/20 0.35
CA2 P00918 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
SCHEMBL1961548 0.92 ZDHHC20 (0.54) CA12CA1CA9ZDHHC20ZDHHC2
SCHEMBL1959382 0.92 ZDHHC20 (0.54) CA12CA1CA9ZDHHC20ZDHHC2
SCHEMBL1961541 0.92 ZDHHC20 (0.54) CA12CA1CA9ZDHHC20ZDHHC2
SCHEMBL1959024 0.92 ZDHHC20 (0.54) CA12CA1CA9ZDHHC20ZDHHC2
SCHEMBL1961902 0.92 ZDHHC20 (0.54) CA12CA1CA9ZDHHC20ZDHHC2
SCHEMBL1960834 0.92 ZDHHC20 (0.54) CA12CA1CA9ZDHHC20ZDHHC2
SCHEMBL1958529 0.92 ZDHHC20 (0.54) CA12CA1CA9ZDHHC20ZDHHC2
SCHEMBL1958219 0.92 ZDHHC20 (0.54) CA12CA1CA9ZDHHC20ZDHHC2
SCHEMBL14120555 0.92 ZDHHC20 (0.54) CA12CA1CA9ZDHHC20ZDHHC2
SCHEMBL1958152 0.92 ZDHHC20 (0.54) CA12CA1CA9ZDHHC20ZDHHC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4340708-A ACRYLIC ESTERS AND A CYANO-ACETIC ACID, ESTOR OR AMIDE IS PRESSENT HENKEL KOMANDITGESELLSCHAFT AUF AKTIEN (DE) 1982-07-20 US claimed
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
US-3985763-A DYESTUFFS BAYER AKTIENGESELLSCHAFT (DT) 1976-10-12 US disclosed