SCHEMBL8478288

SCHEMBL8478288

CCOC(=O)CCN1CCNC(CC(=O)OC)C1=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.40
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
BRD4 O60885 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
HIF1A Q16665 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 3/20 0.34
KAT2B Q92831 1/20 0.34
TNF P01375 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33

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
SCHEMBL7369002 1.00 PKM (0.40) PKMGAATSHRPOLBLMNA
SCHEMBL13472614 0.85 POLB (0.43) PKMGAATSHRPOLBALDH1A1
SCHEMBL7366326 0.80 PKM (0.44) PKMGAAL3MBTL1BRD4KMT2A
SCHEMBL7366324 0.80 PKM (0.44) PKMGAAL3MBTL1BRD4KMT2A
SCHEMBL7311432 0.78 PKM (0.45) PKMGAALMNAL3MBTL1BRD4
SCHEMBL7311444 0.78 PKM (0.45) PKMGAALMNAL3MBTL1BRD4
SCHEMBL12788439 0.78 POLB (0.42) PKMGAATSHRPOLBALDH1A1
SCHEMBL7296969 0.74 PLA2G10 (0.43) PKMGAAPOLBL3MBTL1BRD4
SCHEMBL7296978 0.74 PLA2G10 (0.43) PKMGAAPOLBL3MBTL1BRD4
SCHEMBL26097101 0.73 TSHR (0.54) TSHRPOLBLMNAL3MBTL1ALDH1A1

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-5994356-A ANTICOAGULANT KARL THOMAE (DE) 1999-11-30 US disclosed