SCHEMBL8413844

SCHEMBL8413844

O=C(O)C[C@H](NCC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 13/20 0.51
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
SLC15A1 P46059 1/20 0.45
MME P08473 1/20 0.45
ECE1 P42892 1/20 0.45
FOLH1 Q04609 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL8413850 1.00 CASP1 (0.51) CASP1ALDH1A1MAPK1L3MBTL1GAA
SCHEMBL21555767 0.93 ALDH1A1 (0.51) CASP1ALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL22522926 0.89 ABCB1 (0.48) ALDH1A1MAPK1L3MBTL1MAPTSLC15A1
SCHEMBL19749933 0.89 ALDH1A1 (0.48) ALDH1A1MAPK1L3MBTL1MAPTSLC15A1
SCHEMBL19512002 0.88 ALDH1A1 (0.53) CASP1ALDH1A1MAPK1L3MBTL1HTT
SCHEMBL22424808 0.87 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1SLC15A1MME
SCHEMBL19749931 0.87 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1MAPTSLC15A1
SCHEMBL28409360 0.86 FOLH1 (0.55) ALDH1A1MAPK1L3MBTL1GAAMME
SCHEMBL28409358 0.86 FOLH1 (0.55) ALDH1A1MAPK1L3MBTL1GAAMME
SCHEMBL23011535 0.85 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1MAPTSLC15A1

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
EP-0934260-A1 N ALPHA-2-(4-NITROPHENYLSULFONYL)ETHOXYCARBONYL-AMINO ACIDS Hyundai Pharm. Ind. Co., Ltd. (KR) 1999-08-11 EP disclosed
WO-1998017638-A1 Nα-2-(4-NITROPHENYLSULFONYL)ETHOXYCARBONYL-AMINO ACIDS HYUNDAI PHARM. IND. CO., LTD. (KR) 1998-04-30 WO disclosed