SCHEMBL8818247

SCHEMBL8818247

CC(Cc1ccccc1)C(=O)[C@](N)(CCCC(N)C(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 2/20 0.40
LTA4H P09960 1/20 0.40
LAP3 P28838 1/20 0.40
ANPEP P15144 1/20 0.39
RNPEP Q9H4A4 1/20 0.39
DNPEP Q9ULA0 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALPI P09923 1/20 0.38
PKM P14618 1/20 0.38
PTGS1 P23219 1/20 0.38
XIAP P98170 1/20 0.38
SLC7A5 Q01650 1/20 0.38
IDO1 P14902 1/20 0.37
LNPEP Q9UIQ6 2/20 0.36
ERAP2 Q6P179 1/20 0.36
DPP8 Q6V1X1 2/20 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
SCHEMBL7133156 0.83 SMN1; SMN2 (0.43) SLC15A1LTA4HLAP3ANPEPSMN1; SMN2
SCHEMBL10700924 0.83 LTA4H (0.45) LTA4HSMN1; SMN2HIF1AALDH1A1SLC7A5
SCHEMBL7258076 0.79 TSHR (0.48) LTA4HCTSLSMN1; SMN2HIF1AALDH1A1
SCHEMBL4061223 0.78 SIRT2 (0.44) ALDH1A1
SCHEMBL28962790 0.78 ALDH1A1 (0.47) SLC15A1LTA4HLAP3ANPEPSMN1; SMN2
SCHEMBL4161005 0.77 IDO1 (0.53) SLC15A1LTA4HLAP3ANPEPALDH1A1
SCHEMBL10441465 0.77 IDO1 (0.53) SLC15A1LTA4HLAP3ANPEPALDH1A1
SCHEMBL10421087 0.77 SLC1A1 (0.46) SLC15A1LTA4HSMN1; SMN2HIF1AALPI
SCHEMBL11011081 0.76 LTA4H (0.50) SLC15A1LTA4HSMN1; SMN2HIF1AALDH1A1
Hydrochloric Acid SCHEMBL28986973 0.76 IDO1 (0.52) SLC15A1LTA4HLAP3ANPEPALDH1A1

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
WO-1997016410-A1 NOVEL INHIBITORS OF PEPTIDE BINDING TO MHC CLASS II PROTEINS MERCK & CO., INC. (US) 1997-05-09 WO claimed
WO-1997016410-A1 NOVEL INHIBITORS OF PEPTIDE BINDING TO MHC CLASS II PROTEINS MERCK & CO., INC. (US) 1997-05-09 WO disclosed