SCHEMBL10068435

SCHEMBL10068435

COC(=O)CCNCCCNC(=O)C=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
KDM4E B2RXH2 2/20 0.41
CA12 O43570 4/20 0.40
CA14 Q9ULX7 4/20 0.40
EPHX2 P34913 3/20 0.39
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
RECQL P46063 1/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
LTA4H P09960 1/20 0.35
PAOX Q6QHF9 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA5B Q9Y2D0 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
SCHEMBL10068431 1.00 TSHR (0.43) TSHRKDM4ECA12CA14EPHX2
SCHEMBL10068430 0.87 TSHR (0.50) TSHRKDM4ECA12CA14EPHX2
SCHEMBL12791500 0.84 TSHR (0.59) TSHRKDM4ECA12CA14EPHX2
SCHEMBL29915714 0.80 TSHR (0.59) TSHRKDM4ECA12CA14EPHX2
SCHEMBL23085540 0.78 TSHR (0.64) TSHRKDM4ECA12CA14EPHX2
SCHEMBL24263795 0.78 MAOA (0.55) TSHRKDM4ECA12CA14ALDH1A1
SCHEMBL72889 0.78 TSHR (0.67) TSHRKDM4ECA12CA14EPHX2
SCHEMBL10038845 0.77 TSHR (0.50) TSHRKDM4ECA12CA14EPHX2
SCHEMBL10038847 0.77 TSHR (0.50) TSHRKDM4ECA12CA14EPHX2
SCHEMBL10068434 0.76 KDM4E (0.38) KDM4ECA12CA14ALDH1A1CA2

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