SCHEMBL1963044

SCHEMBL1963044

CCCC[C@@H](C#N)OC(=O)S

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
CA2 P00918 7/20 0.36
CA1 P00915 4/20 0.36
MAPK1 P28482 1/20 0.35
CTSK P43235 4/20 0.34
CTSS P25774 1/20 0.34
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 2/20 0.32
FDPS P14324 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
SCHEMBL1960574 0.90 HDAC7 (0.33) EPHX2CTSKCTSSTSHRCYP3A4
SCHEMBL7183665 0.82 EPHX2 (0.41) EPHX2CA2CA1MAPK1CTSK
SCHEMBL1960314 0.82
SCHEMBL14659358 0.81 EPHX2 (0.40) EPHX2CA2CA1MAPK1CTSK
SCHEMBL1573329 0.77 FAAH (0.40) EPHX2CA1LMNA
SCHEMBL7699097 0.77 FAAH (0.40) EPHX2CA1LMNA
SCHEMBL11774081 0.77 TSHR (0.49) EPHX2CA2CA1CTSKTSHR
SCHEMBL6725478 0.74 FAAH (0.47) EPHX2CA2CA1MAPK1CTSK
SCHEMBL2047356 0.73 EPHX2 (0.35) EPHX2TSHR
SCHEMBL8965442 0.72 TSHR (0.36) EPHX2CTSKCTSSTSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8946135-B2 Lubricating composition containing a nitrile compound THE LUBRIZOL CORPORATION (US) 2015-02-03 US disclosed
US-20120309657-A1 Lubricating Composition Containing an Antiwear Agent THE LUBRIZOL CORPORATION (US) 2012-12-06 US disclosed
US-20120309655-A1 Lubricating Composition Containing a Nitrile Compound THE LUBRIZOL CORPORATION (US) 2012-12-06 US disclosed
EP-2513270-A1 LUBRICATING COMPOSITION CONTAINING A NITRILE COMPOUND 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-2011075403-A1 LUBRICATING COMPOSITION CONTAINING AN ANTIWEAR AGENT THE LUBRIZOL CORPORATION (US) 2011-06-23 WO disclosed
WO-2011075401-A1 LUBRICATING COMPOSITION CONTAINING A NITRILE COMPOUND THE LUBRIZOL CORPORATION (US) 2011-06-23 WO disclosed