SCHEMBL2178660

SCHEMBL2178660

CCCCC(C=C(C#N)C#N)CC

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 2/20 0.34
CA2 P00918 3/20 0.32
MAPK1 P28482 1/20 0.32
CA1 P00915 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL19830184 0.84 LMNA (0.39) TSHRSMN1; SMN2TDP1
SCHEMBL23956816 0.82 TSHR (0.45) TSHRSMN1; SMN2ALDH1A1CA2MAPK1
SCHEMBL6910847 0.74 TSHR (0.54) TSHRSMN1; SMN2ALDH1A1CA2MAPK1
SCHEMBL13859355 0.72 TSHR (0.52) TSHRSMN1; SMN2ALDH1A1CA2MAPK1
SCHEMBL6250382 0.72 TSHR (0.52) TSHRSMN1; SMN2ALDH1A1CA2MAPK1
SCHEMBL540777 0.72 TSHR (0.39) TSHRSMN1; SMN2
SCHEMBL20541343 0.69 TSHR (0.48) TSHRSMN1; SMN2ALDH1A1TDP1
SCHEMBL20541342 0.69 TSHR (0.48) TSHRSMN1; SMN2ALDH1A1TDP1
SCHEMBL3846687 0.69
SCHEMBL22092215 0.68 TSHR (0.52) TSHRSMN1; SMN2CA2MAPK1CA1

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 6 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 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-20130172221-A1 Lubricating Composition Containing an Antiwear Agent THE LUBRIZOL CORPORATION (US) 2013-07-04 US 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