SCHEMBL29956772

SCHEMBL29956772

CC(C)(C)c1nn(C2CCCCC2)c(Cl)c1C=O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CNR2 P34972 1/20 0.31
ADAMTS5 Q9UNA0 1/20 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
SCHEMBL29955455 1.00 MAPK13 (0.32) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL29957598 0.98 MAPK13 (0.30) MAPK13MAPK12MAPK11MAPK14
SCHEMBL29956771 0.85 ADAMTS5 (0.40) ADAMTS5
SCHEMBL29955220 0.85 ADAMTS5 (0.40) ADAMTS5
SCHEMBL29953135 0.84 ADAMTS5 (0.38) ADAMTS5
SCHEMBL15332416 0.82 ALDH1A1 (0.38) ALDH1A1
SCHEMBL853448 0.80 ALDH1A1 (0.39) ALDH1A1CNR2
SCHEMBL853226 0.80 ALDH1A1 (0.39) ALDH1A1CNR2
SCHEMBL29954457 0.79 MEN1 (0.32) ALDH1A1CNR2
SCHEMBL29951466 0.79 MEN1 (0.32) ALDH1A1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed