SCHEMBL9752939

SCHEMBL9752939

CCCCCCCCCCCCCCCCSCCC(NC(C)=O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 3/20 0.48
MAPT P10636 2/20 0.46
THRB P10828 2/20 0.46
BLM P54132 2/20 0.46
CES2 O00748 1/20 0.46
GMNN O75496 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
CYP2C9 P11712 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ICMT O60725 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALOX15 P16050 1/20 0.43
NFKB1 P19838 1/20 0.43
PTGS2 P35354 1/20 0.43
THPO P40225 1/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SIRT6 Q8N6T7 1/20 0.43
SIRT1 Q96EB6 1/20 0.43

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
SCHEMBL9752937 1.00 NOD1 (0.48) NOD1MAPTTHRBBLMCES2
SCHEMBL4953163 0.94 KDM4E (0.46) NOD1MAPTTHRBBLMICMT
SCHEMBL4953117 0.87 MAPT (0.48) NOD1MAPTTHRBBLMTP53
SCHEMBL19927710 0.86 ICMT (0.53) NOD1MAPTTHRBBLMCES2
SCHEMBL9545188 0.86 ICMT (0.53) NOD1MAPTTHRBBLMCES2
SCHEMBL9117736 0.86 ICMT (0.53) NOD1MAPTTHRBBLMCES2
SCHEMBL9545182 0.86 ICMT (0.53) NOD1MAPTTHRBBLMCES2
SCHEMBL9119016 0.86 ICMT (0.53) NOD1MAPTTHRBBLMCES2
SCHEMBL19927712 0.86 ICMT (0.53) NOD1MAPTTHRBBLMCES2
SCHEMBL11092611 0.85 NOD1 (0.68) NOD1HDAC2PLA2G2C

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-1991008737-A2 PHARMACOLOGICALLY ACTIVE AMIDE CARBOXYLATE DERIVATIVES FISONS PLC (GB) 1991-06-27 WO claimed