SCHEMBL8201374

SCHEMBL8201374

COC(=O)c1[nH]ccc1C(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.42
NR4A2 P43354 4/20 0.39
CREBBP Q92793 1/20 0.39
PIM1 P11309 2/20 0.38
MAP2K1 Q02750 2/20 0.38
DAPK3 O43293 1/20 0.38
JAK2 O60674 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
PAK4 O96013 1/20 0.38
ABL1 P00519 1/20 0.38
CSF1R P07333 1/20 0.38
RET P07949 1/20 0.38
MET P08581 1/20 0.38
PDGFRB P09619 1/20 0.38
FGFR1 P11362 1/20 0.38
PDGFRA P16234 1/20 0.38
PRKACA P17612 1/20 0.38
FLT1 P17948 1/20 0.38
LTK P29376 1/20 0.38

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
SCHEMBL69393 0.92 NR4A2 (0.44) CNR2NR4A2CREBBPPIM1MAP2K1
SCHEMBL257660 0.85 CNR2 (0.40) CNR2NR4A2CREBBPPIM1MAP2K1
SCHEMBL27820698 0.85 CNR2 (0.42) CNR2NR4A2CREBBPPIM1MAP2K1
SCHEMBL27820699 0.82 NR4A2 (0.43) CNR2NR4A2CREBBPPIM1MAP2K1
SCHEMBL28816343 0.82 ALDH1A1 (0.45) CNR2NR4A2CREBBPLMNAKDM4E
SCHEMBL5004910 0.81 PBRM1 (0.39) PIM1MAP2K1DAPK3JAK2PRKD3
SCHEMBL29955321 0.79 KEAP1 (0.38) PIM1MAP2K1DAPK3JAK2PRKD3
SCHEMBL27906710 0.79 LMNA (0.42) CNR2NR4A2CREBBPPIM1MAP2K1
SCHEMBL2937272 0.76 CA12 (0.47) CNR2NR4A2CREBBPTSHRLMNA
SCHEMBL29158222 0.76 CSNK1A1 (0.40) PIM1MAP2K1DAPK3JAK2PRKD3

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
WO-2008055068-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-05-08 WO disclosed