SCHEMBL10068433

SCHEMBL10068433

O=CC(=O)NCCCNC(=O)CCNC(=O)C=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.41
TSHR P16473 1/20 0.39
MAPT P10636 2/20 0.39
NAAA Q02083 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
FAAH O00519 1/20 0.36
CNR1 P21554 1/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 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
SCHEMBL24760765 0.81 ZDHHC20 (0.55) CASP2TSHRMAPTNAAAKMT2A
SCHEMBL10068437 0.80 KDM4E (0.38) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL10068434 0.80 KDM4E (0.38) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL10063646 0.79 MAPT (0.43) MAPTKMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL13201810 0.76 KDM4E (0.58) TSHRMAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL14431193 0.75
SCHEMBL18752932 0.75 ECE1 (0.46) TSHRMAPTL3MBTL1FAAHCNR1
SCHEMBL3897978 0.73
SCHEMBL3897974 0.73 MAPT (0.32) MAPT
SCHEMBL4855765 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778858-B2 Amine derivatives as friction modifiers in lubricants THE LUBRIZOL CORPORATION (US) 2014-07-15 US disclosed
US-20120015855-A1 Amine Derivatives as Friction Modifiers in Lubricants THE LUBRIZOL CORPORATION 2012-01-19 US disclosed
WO-2010096325-A1 AMINE DERIVATIVES AS FRICTION MODIFIERS IN LUBRICANTS THE LUBRIZOL CORPORATION (US) 2010-08-26 WO disclosed