SCHEMBL8665221

SCHEMBL8665221

NC(Cc1ccc(O)cc1)C(=O)N(C(=O)C(N)Cc1ccc(O)cc1)C(Cc1ccccc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.59
ALPI P09923 1/20 0.54
PKM P14618 1/20 0.54
PTGS1 P23219 1/20 0.54
XIAP P98170 1/20 0.54
HDAC8 Q9BY41 2/20 0.47
TRPV1 Q8NER1 1/20 0.45
SLC15A1 P46059 2/20 0.44
SLC1A3 P43003 2/20 0.44
SLC1A2 P43004 2/20 0.44
SLC1A1 P43005 2/20 0.44
ANPEP P15144 2/20 0.43
ERAP2 Q6P179 2/20 0.43
ERAP1 Q9NZ08 2/20 0.43
LAP3 P28838 1/20 0.43
ENPEP Q07075 1/20 0.43
BACE1 P56817 2/20 0.43
MC4R P32245 1/20 0.43
MC5R P33032 1/20 0.43
MC3R P41968 1/20 0.43

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
SCHEMBL8712794 1.00 SLC7A5 (0.59) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL10584413 0.93 SLC7A5 (0.62) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL30191467 0.89 MC4R (0.48) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL31482431 0.89 SLC7A5 (0.50) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL28794174 0.86 SLC7A5 (0.56) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL28794185 0.86 SLC7A5 (0.56) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL11569665 0.86 SLC7A5 (0.54) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL3937927 0.85 SLC7A5 (0.55) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL29066987 0.85 SLC7A5 (0.55) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL9499407 0.84 ALPI (0.54) SLC7A5ALPIPKMPTGS1XIAP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5780509-A Compound bearing two, 2,6-diiodophenol-4-YL groups and diagnostic drug for iodine allergy MUROMACHI KAGAKU KOGYO KAISHA, LTD. (JP) 1998-07-14 US disclosed
US-5741668-A SYNTHESIZING COELENTERAZINE, A BIOLUMINESCENT COMPOUND RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1998-04-21 US disclosed
WO-1995021191-A1 BIOLUMINESCENT INDICATOR BASED UPON THE EXPRESSION OF A GENE FOR A MODIFIED GREEN-FLUORESCENT PROTEIN WARD WILLIAM (US) 1995-08-10 WO disclosed