SCHEMBL8575470

SCHEMBL8575470

O=C(O)C(CO)NC(CO)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.58
OR51E2 Q9H255 1/20 0.43
MME P08473 6/20 0.41
CA2 P00918 2/20 0.37
CA1 P00915 1/20 0.37
FOLH1 Q04609 3/20 0.37
NAALAD2 Q9Y3Q0 3/20 0.37
RIMKLA Q8IXN7 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
NFKB1 P19838 1/20 0.37
PTGS2 P35354 1/20 0.37
THPO P40225 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PDE4A P27815 1/20 0.35

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
SCHEMBL23120310 0.87 TGFBR1 (0.48) TGFBR1MMECA2FOLH1NAALAD2
SCHEMBL23120316 0.87 TGFBR1 (0.48) TGFBR1MMECA2FOLH1NAALAD2
SCHEMBL16750049 0.84 TGFBR1 (0.50) TGFBR1OR51E2MMEFOLH1NAALAD2
SCHEMBL16750052 0.84 TGFBR1 (0.50) TGFBR1OR51E2MMEFOLH1NAALAD2
SCHEMBL9911356 0.84 TGFBR1 (0.50) TGFBR1OR51E2MMEFOLH1NAALAD2
SCHEMBL15855456 0.80 TGFBR1 (0.44) TGFBR1OR51E2MMEFOLH1NAALAD2
SCHEMBL31259272 0.80 TGFBR1 (0.52) TGFBR1MMECA2CA1KDM4E
SCHEMBL1939496 0.80 TGFBR1 (0.47) TGFBR1OR51E2MMEFOLH1NAALAD2
SCHEMBL22731504 0.80 TGFBR1 (0.47) TGFBR1OR51E2MMEFOLH1NAALAD2
SCHEMBL1934656 0.80 TGFBR1 (0.52) TGFBR1MMEFOLH1NAALAD2ALDH1A1

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
JP-10110190-A None JP disclosed
JP-H10110190-A DETERGENT COMPOSITION COMPRISING IMINOBIS (2-HYDROXYMETHYLACETIC ACID) DERIVATIVE KAO CORP 1998-04-28 JP disclosed