SCHEMBL23399256

SCHEMBL23399256

Cc1ccc(-n2nc(CC(C)C)c(O)c2C(C)(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
USP2 O75604 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
MAPK14 Q16539 3/20 0.34
ALDH1A1 P00352 7/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTK2 Q05397 1/20 0.32
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 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
SCHEMBL23401395 0.87 CACNA1H (0.39) HPGDCNR1CNR2ALDH1A1GAA
SCHEMBL23402635 0.84 RIPK2 (0.41) KDM4EHSD17B10MAPK14ALDH1A1MAPT
SCHEMBL23400313 0.84 CDK8 (0.41) CDK8CNR1CNR2MAPK14ALDH1A1
SCHEMBL23402264 0.82 ALDH1A1 (0.40) KDM4EHPGDUSP2HSD17B10ALDH1A1
SCHEMBL23399896 0.82 CDK8 (0.36) CDK8KDM4EUSP2HSD17B10CNR1
SCHEMBL23403032 0.81 CACNA1H (0.41) KDM4EHPGDUSP2HSD17B10ALDH1A1
SCHEMBL23400163 0.81 CDK8 (0.36) CDK8KDM4EUSP2HSD17B10CNR1
SCHEMBL23400882 0.81 CDK8 (0.39) CDK8KDM4EHPGDUSP2HSD17B10
SCHEMBL23403425 0.81 CDK8 (0.36) CDK8CNR1CNR2MAPK14ALDH1A1
SCHEMBL23399014 0.80 HPGD (0.37) KDM4EHPGDUSP2HSD17B10ALDH1A1

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