SCHEMBL18770575

SCHEMBL18770575

CCC(C)C(C)(N)C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
EPHX1 P07099 1/20 0.31
KIF11 P52732 1/20 0.30
DPP4 P27487 3/20 0.30
DPP8 Q6V1X1 2/20 0.30
DPP9 Q86TI2 2/20 0.30
DPP7 Q9UHL4 2/20 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
SCHEMBL20854287 0.81 ALDH1A1 (0.34) CA1CA2KIF11
SCHEMBL29489674 0.81 ALDH1A1 (0.34) CA1CA2KIF11
SCHEMBL22636108 0.81 ALDH1A1 (0.34) CA1CA2KIF11
SCHEMBL162434 0.81 ALDH1A1 (0.34) CA1CA2KIF11
SCHEMBL202556 0.81 ALDH1A1 (0.34) CA1CA2KIF11
SCHEMBL29220481 0.81 CA1 (0.31) CA1CA2KIF11DPP4DPP8
SCHEMBL574079 0.81 ALDH1A1 (0.34) CA1CA2KIF11
SCHEMBL23376687 0.79 CA1 (0.30) CA1CA2
SCHEMBL5372673 0.78 CA1 (0.37) CA1CA2KIF11
SCHEMBL11333891 0.78 CA1 (0.37) CA1CA2KIF11

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
EP-3364958-A1 MODULATORS OF SESTRIN-GATOR2 INTERACTION AND USES THEREOF Navitor Pharmaceuticals, Inc. (US) 2018-08-29 EP disclosed
WO-2017070518-A1 MODULATORS OF SESTRIN-GATOR2 INTERACTION AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2017-04-27 WO disclosed