SCHEMBL23399376

SCHEMBL23399376

Cc1cccc(-n2nc(C(C)(C)C)c(O)c2CC(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 2/20 0.49
ALDH1A1 P00352 2/20 0.39
MAPK14 Q16539 2/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK9 P45984 1/20 0.36
DDR2 Q16832 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
CACNA1H O95180 1/20 0.36
RPA1 P27694 1/20 0.36
PRKCZ Q05513 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ATM Q13315 1/20 0.34
NPBWR1 P48145 1/20 0.33
MCHR1 Q99705 1/20 0.33

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
SCHEMBL23398917 0.86 RIPK2 (0.52) RIPK2ALDH1A1MAPK14MAPK13MAPK12
SCHEMBL23400173 0.86 ALDH1A1 (0.41) RIPK2ALDH1A1LMNAMAPTCACNA1H
SCHEMBL23403342 0.85 CACNA1H (0.44) ALDH1A1CACNA1HGAAATMGABRA1
SCHEMBL23398590 0.84 ALDH1A1 (0.46) RIPK2ALDH1A1LMNAMAPTCACNA1H
SCHEMBL23401356 0.84 CACNA1H (0.36) RIPK2ALDH1A1MAPK14MAPK13MAPK12
SCHEMBL23398701 0.84 ALDH1A1 (0.40) RIPK2ALDH1A1MAPK14MAPK13MAPK12
SCHEMBL23401654 0.84 RIPK2 (0.50) RIPK2ALDH1A1MAPK14MAPK13MAPK12
SCHEMBL23403619 0.82 RIPK2 (0.41) RIPK2ALDH1A1MAPK14MAPK13MAPK12
SCHEMBL23399032 0.82 RIPK2 (0.49) RIPK2ALDH1A1MAPK14MAPK13MAPK12
SCHEMBL23401145 0.80 RIPK2 (0.56) RIPK2ALDH1A1MAPK14MAPK13MAPK12

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed