SCHEMBL23401356

SCHEMBL23401356

Cc1ccc(-n2nc(C(C)(C)C)c(O)c2CC(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.36
CDK8 P49336 2/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
MAPK14 Q16539 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
KDM4E B2RXH2 2/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GPR55 Q9Y2T6 1/20 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
SCHEMBL23403342 0.87 CACNA1H (0.44) CACNA1HALDH1A1MEN1KMT2AGAA
SCHEMBL23398663 0.85 CNR1 (0.38) CNR1CNR2MAPK14ALDH1A1MAPK13
SCHEMBL23399376 0.84 RIPK2 (0.49) CACNA1HMAPK14ALDH1A1MAPK13MAPK12
SCHEMBL23403032 0.84 CACNA1H (0.41) CACNA1HALDH1A1KDM4EUSP2HPGD
SCHEMBL23402504 0.84 CDK8 (0.41) CDK8CNR1CNR2MAPK14ALDH1A1
SCHEMBL23402394 0.82 ALDH1A1 (0.40) CACNA1HALDH1A1KDM4EHPGDMEN1
SCHEMBL23399088 0.82 CDK8 (0.36) CDK8CNR1CNR2MAPK14ALDH1A1
SCHEMBL23401393 0.82 CACNA1H (0.39) CACNA1HCDK8ALDH1A1KDM4EUSP2
SCHEMBL23399509 0.81 CDK8 (0.39) CACNA1HCDK8CNR1CNR2MAPK14
SCHEMBL23399702 0.81 MAPK14 (0.37) CDK8CNR1CNR2MAPK14ALDH1A1

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