SCHEMBL8413846

SCHEMBL8413846

N[C@@H](CC(=O)OCC(=O)OCc1ccccc1)C(=O)OCC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 2/20 0.56
ALDH1A1 P00352 5/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CASP1 P29466 3/20 0.44
KMT2A Q03164 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CDC25B P30305 1/20 0.43
MAPT P10636 1/20 0.43
PAM P19021 1/20 0.42
IDO1 P14902 1/20 0.42
SLC1A3 P43003 2/20 0.42
SLC1A2 P43004 2/20 0.42
SLC1A1 P43005 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL589203 0.91 SLC15A1 (0.61) SLC15A1ALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL589202 0.91 SLC15A1 (0.61) SLC15A1ALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL32681189 0.91 SLC15A1 (0.61) SLC15A1ALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL1264374 0.91 SLC15A1 (0.61) SLC15A1ALDH1A1MAPK1L3MBTL1KMT2A
Hydrochloric Acid SCHEMBL29401429 0.89 SLC15A1 (0.59) SLC15A1ALDH1A1MAPK1L3MBTL1KMT2A
Hydrochloric Acid SCHEMBL16987449 0.89 SLC15A1 (0.59) SLC15A1ALDH1A1MAPK1L3MBTL1KMT2A
Hydrochloric Acid SCHEMBL14762001 0.89 SLC15A1 (0.59) SLC15A1ALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL8363394 0.85 SLC15A1 (0.49) SLC15A1ALDH1A1MAPK1L3MBTL1
SCHEMBL27469726 0.84 SLC15A1 (0.58) SLC15A1ALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL16200520 0.84 SLC15A1 (0.58) SLC15A1ALDH1A1MAPK1L3MBTL1KMT2A

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