SCHEMBL8693297

SCHEMBL8693297

CCOC(=O)CC(=O)c1c(C)nc(Cl)c(Cl)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.42
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
KDM4E B2RXH2 5/20 0.40
MAPT P10636 2/20 0.39
PKM P14618 2/20 0.38
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 4/20 0.35
HPGD P15428 4/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL2094172 0.74 MEN1 (0.47) GAAMGAMSIMGAM2KDM4E
SCHEMBL30585693 0.74 MEN1 (0.47) GAAMGAMSIMGAM2KDM4E
SCHEMBL7834361 0.73 MEN1 (0.41) GAAMGAMSIMGAM2KDM4E
SCHEMBL2095153 0.73 MAPT (0.40) GAAMGAMSIMGAM2KDM4E
SCHEMBL5704377 0.72 GAA (0.47) GAAMGAMSIMGAM2KDM4E
SCHEMBL7851514 0.71 KDM4E (0.47) GAAKDM4EMAPTPKMALDH1A1
SCHEMBL5158163 0.71 MGAM (0.41) GAAMGAMSIMGAM2KDM4E
SCHEMBL2092313 0.71 GAA (0.38) GAAMGAMSIMGAM2KDM4E
SCHEMBL14686134 0.71 MEN1 (0.40) GAAMGAMSIMGAM2KDM4E
SCHEMBL13004014 0.71 MIF (0.41) GAAMGAMSIMGAM2KDM4E

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
US-5811433-A ANTIMICROBIALS BAYER AKTIENGESELLSCHAFT (DE) 1998-09-22 US disclosed