SCHEMBL7057064

SCHEMBL7057064

C=C(C(=O)O)C(CC)NC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
ALOX15 P16050 1/20 0.45
NFKB1 P19838 1/20 0.45
PTGS2 P35354 1/20 0.45
THPO P40225 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 2/20 0.44
TGFBR1 P36897 1/20 0.37
GNPAT O15228 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 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
SCHEMBL1558895 0.84 TGFBR1 (0.56) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL13176477 0.83 MAPT (0.48) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL1417022 0.82 TGFBR1 (0.34) TGFBR1TSHR
SCHEMBL12672074 0.82 CAD (0.40) ALDH1A1TGFBR1
SCHEMBL25643797 0.80 KDM4E (0.45) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL12672075 0.79 TGFBR1 (0.31) TGFBR1
SCHEMBL6364868 0.78 TGFBR1 (0.31) TGFBR1
SCHEMBL21378651 0.78 MAPT (0.48) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL4701435 0.78 MAPT (0.64) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL1704966 0.78 MAPT (0.64) KDM4EMAPTTHRBALOX15NFKB1

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-2003029310-A1 METHOD AND DEVICE FOR PRODUCING A HIGHLY MOLECULAR POLY(METH)ACRYLATE RÖHM GBMH & CO.KG (DE) 2003-04-10 WO disclosed