SCHEMBL1960950

SCHEMBL1960950

CCCCC(CC)C[C@H](C)C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
TDP1 Q9NUW8 2/20 0.45
CYP3A4 P08684 5/20 0.43
TSHR P16473 5/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
ATM Q13315 1/20 0.38
CA2 P00918 3/20 0.37
LMNA P02545 3/20 0.35
MAPK1 P28482 1/20 0.35
RECQL P46063 1/20 0.32
CHRM2 P08172 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CHRM1 P11229 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
OPRM1 P35372 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 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
SCHEMBL21900733 1.00 ALDH1A1 (0.45) ALDH1A1TDP1CYP3A4TSHRL3MBTL1
SCHEMBL12316263 0.92 LMNA (0.42) ALDH1A1TDP1CYP3A4TSHRL3MBTL1
SCHEMBL13557281 0.87 TSHR (0.39) TSHR
SCHEMBL28462454 0.78 TSHR (0.39) TSHROPRM1
SCHEMBL1343853 0.77
SCHEMBL16501370 0.77
SCHEMBL15827071 0.77
SCHEMBL4281881 0.77 ALDH1A1 (0.62) ALDH1A1TDP1CYP3A4TSHRL3MBTL1
SCHEMBL7965459 0.75 OPRM1 (0.38) ALDH1A1TDP1TSHROPRM1
SCHEMBL1873149 0.75 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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