SCHEMBL28337307

SCHEMBL28337307

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
PTGS2 P35354 1/20 0.38
THPO P40225 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
TGFBR1 P36897 2/20 0.34
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
FOLH1 Q04609 2/20 0.32
NAALAD2 Q9Y3Q0 2/20 0.32
FNTA P49354 2/20 0.31
FNTB P49356 2/20 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
SCHEMBL7562030 0.83 GRN (0.44) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL6746101 0.82 CA2 (0.42) MAPTSMN1; SMN2TDP1FOLH1NAALAD2
SCHEMBL8337750 0.82 CA2 (0.42) MAPTSMN1; SMN2TDP1FOLH1NAALAD2
SCHEMBL27952437 0.79 TGFBR1 (0.36) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL8028150 0.78 ECE1 (0.42) KDM4EMAPTALDH1A1TGFBR1FOLH1
SCHEMBL2918805 0.78 ECE1 (0.42) KDM4EMAPTALDH1A1TGFBR1FOLH1
SCHEMBL29956040 0.77
SCHEMBL13494713 0.77
SCHEMBL2332096 0.77
SCHEMBL2702499 0.75

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
CN-107522627-B Preparation method of 5-aminolevulinic acid hydrochloride 台州职业技术学院 2019-12-13 CN disclosed