SCHEMBL5668399

SCHEMBL5668399

CC(=O)N[C@H](CO)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
NFKB1 P19838 2/20 0.35
KDM4E B2RXH2 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
PTGS2 P35354 1/20 0.35
THPO P40225 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CNR2 P34972 3/20 0.34
CTRB1 P17538 1/20 0.33
MMP1 P03956 1/20 0.33
TGFBR1 P36897 1/20 0.32
PLA2G2C Q5R387 1/20 0.32
MEN1 O00255 1/20 0.32
NFKB2 Q00653 1/20 0.32
KMT2A Q03164 1/20 0.32
RELA Q04206 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
SCHEMBL13365141 1.00 MAPT (0.35) MAPTNFKB1KDM4ETHRBALOX15
SCHEMBL14350669 1.00 MAPT (0.35) MAPTNFKB1KDM4ETHRBALOX15
SCHEMBL4337970 0.83 CNR2 (0.35) CNR2MMP1TGFBR1ADAM17CYP2C9
SCHEMBL4332752 0.83 CNR2 (0.35) CNR2MMP1TGFBR1ADAM17CYP2C9
SCHEMBL23855055 0.81 TGFBR1 (0.36) MAPTNFKB1KDM4ETHRBALOX15
SCHEMBL4344892 0.81 CNR2 (0.34) CNR2CTRB1MMP1
SCHEMBL12086289 0.81 KDM4E (0.35) MAPTNFKB1KDM4ETHRBALOX15
SCHEMBL14376297 0.81 KDM4E (0.35) MAPTNFKB1KDM4ETHRBALOX15
SCHEMBL4338681 0.81 CNR2 (0.34) CNR2CTRB1MMP1
SCHEMBL394954 0.81 TGFBR1 (0.36) MAPTNFKB1KDM4ETHRBALOX15

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-1730141-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES Pfizer Limited (GB) 2006-12-13 EP disclosed
WO-2005092887-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES PFIZER LIMITED (GB) 2005-10-06 WO disclosed