SCHEMBL28167184

SCHEMBL28167184

N[C@@H](Cc1cn(C(CC(=O)O)C(=O)O)cn1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.39
▸ TYR P14679 5/20 0.38
▸ USP2 O75604 3/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ PKM P14618 2/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ HIF1A Q16665 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ RECQL P46063 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ RGS12 O14924 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ BRCA1 P38398 1/20 0.36
▸ THPO P40225 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ GNAI1 P63096 1/20 0.36
▸ MEN1 O00255 1/20 0.36

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
SCHEMBL19750174 0.81 CPB2 (0.46) CYP1A2TYRPKMRECQLALDH1A1
SCHEMBL6905691 0.80 CYP1A2 (0.35) CYP1A2TYRHSD17B10PKMSLC1A3
SCHEMBL27634976 0.80 CYP1A2 (0.39) CYP1A2TYRHSD17B10PKMCYP3A4
SCHEMBL27974517 0.77 CYP1A2 (0.46) CYP1A2TYRUSP2HSD17B10PKM
SCHEMBL44187 0.75 CYP1A2 (0.45) CYP1A2TYRUSP2HSD17B10PKM
SCHEMBL60911 0.75 CYP1A2 (0.45) CYP1A2TYRUSP2HSD17B10PKM
SCHEMBL4727798 0.75 CYP1A2 (0.45) CYP1A2TYRPKMSLC1A3CPB2
SCHEMBL14798187 0.75 CYP1A2 (0.45) CYP1A2TYRUSP2HSD17B10PKM
SCHEMBL4726518 0.75 CYP1A2 (0.45) CYP1A2TYRPKMSLC1A3CPB2
SCHEMBL9064610 0.75 PTPRC (0.38) CYP1A2

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-107090038-A Anti- C MET antibody formulations 霍夫曼-拉罗奇有限公司 2017-08-25 — — CN disclosed
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