SCHEMBL9700814

SCHEMBL9700814

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

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.34
NFKB1 P19838 1/20 0.34
PTGS2 P35354 1/20 0.34
THPO P40225 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CPA1 P15085 1/20 0.33
CPA2 P48052 1/20 0.33
CPA4 Q9UI42 1/20 0.33
TGFBR1 P36897 1/20 0.32
GNPAT O15228 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31

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
SCHEMBL9700817 0.82 GNPAT (0.41) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL5053530 0.82 NFKB1 (0.34) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL4599093 0.82 NFKB1 (0.34) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL4599052 0.82 NFKB1 (0.34) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL10013379 0.74 KDM4E (0.43) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL13394103 0.74 KDM4E (0.43) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL14577477 0.72 ALDH1A1 (0.45) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL3990273 0.72
SCHEMBL3990272 0.72
SCHEMBL8509053 0.72 DPP4 (0.42)

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-1992005802-A1 POLYMERIC CARRIERS FOR RELEASE OF COVALENTLY LINKED AGENTS NEORX CORPORATION (US) 1992-04-16 WO disclosed