SCHEMBL5160307

SCHEMBL5160307

CC(C)C(C(=O)O)C(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
HPGD P15428 2/20 0.58
MAPT P10636 1/20 0.58
DAO P14920 1/20 0.58
SRD5A2 P31213 1/20 0.58
HSD17B10 Q99714 1/20 0.58
LMNA P02545 3/20 0.56
TP53 P04637 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
FLT3 P36888 1/20 0.56
IDO1 P14902 1/20 0.50
CCKAR P32238 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GAA P10253 3/20 0.49
PDGFRB P09619 1/20 0.49
PDGFRA P16234 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL5160962 0.84 KDM4E (0.62) KDM4EHPGDMAPTDAOSRD5A2
SCHEMBL30790269 0.82 FLT3 (0.65) KDM4EHPGDMAPTDAOSRD5A2
SCHEMBL2605497 0.82 FLT3 (0.65) KDM4EHPGDMAPTDAOSRD5A2
SCHEMBL5161469 0.79 KDM4E (0.58) KDM4EHPGDMAPTDAOSRD5A2
SCHEMBL5162750 0.77 DRD2 (0.50) KDM4EHPGDMAPTDAOSRD5A2
SCHEMBL5973083 0.76 KDM4E (0.58) KDM4EHPGDMAPTDAOSRD5A2
SCHEMBL6446972 0.75 HSPA5 (0.60) KDM4EHPGDMAPTDAOSRD5A2
SCHEMBL6446970 0.75 HSPA5 (0.60) KDM4EHPGDMAPTDAOSRD5A2
SCHEMBL8670236 0.75 CCKAR (0.77) KDM4EHPGDMAPTDAOSRD5A2
SCHEMBL8670229 0.75 CCKAR (0.77) KDM4EHPGDMAPTDAOSRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1340746-B1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives SALTIGO GMBH (DE) 2007-02-28 EP disclosed
EP-1340746-A1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives BAYER AG (DE) 2003-09-03 EP disclosed