SCHEMBL10068434

SCHEMBL10068434

O=CC(=O)NCCCNCCCNCCC(=O)NC(=O)C=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
CA3 P07451 2/20 0.36
CA5A P35218 2/20 0.36
CA5B Q9Y2D0 2/20 0.36
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
MAPT P10636 1/20 0.34
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PAOX Q6QHF9 1/20 0.32
HDAC3 O15379 2/20 0.32
HDAC4 P56524 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC7 Q8WUI4 2/20 0.32
HDAC2 Q92769 2/20 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
SCHEMBL10068437 1.00 KDM4E (0.38) KDM4ECA3CA5ACA5BCA12
SCHEMBL10068433 0.80 CASP2 (0.41) KDM4EMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL18270932 0.80 ALDH1A1 (0.46) ALDH1A1PAOXHDAC1HDAC2ZDHHC20
SCHEMBL16748699 0.79 CASP2 (0.46) ALDH1A1HDAC1HDAC2ZDHHC20ZDHHC2
SCHEMBL10068435 0.76 TSHR (0.43) KDM4ECA3CA5ACA5BCA12
SCHEMBL10068431 0.76 TSHR (0.43) KDM4ECA3CA5ACA5BCA12
SCHEMBL10063646 0.73 MAPT (0.43) KDM4ECA3CA5ACA5BCA12
SCHEMBL9363613 0.73 CA12 (0.50) CA3CA5ACA5BCA12CA2
Hydrochloric Acid SCHEMBL9507179 0.72 LMNA (0.52) CA3CA5ACA5BCA12CA2
SCHEMBL9363619 0.71 CA12 (0.54) CA3CA5ACA5BCA12CA2

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 2 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