SCHEMBL9636558

SCHEMBL9636558

NC(Cc1ccccc1)OC(=O)[C@@H](N)Cc1ccc(O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.58
ALPI P09923 1/20 0.53
PKM P14618 1/20 0.53
PTGS1 P23219 1/20 0.53
XIAP P98170 1/20 0.53
HDAC8 Q9BY41 2/20 0.49
SLC15A1 P46059 2/20 0.49
TYR P14679 1/20 0.48
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
ANPEP P15144 2/20 0.45
ERAP2 Q6P179 2/20 0.45
ERAP1 Q9NZ08 2/20 0.45
LAP3 P28838 1/20 0.45
ENPEP Q07075 1/20 0.45
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
BACE1 P56817 2/20 0.44
LTA4H P09960 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
SCHEMBL16099181 0.92 ALPI (0.61) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL15064920 0.92 ALPI (0.61) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL1422055 0.86 SLC7A5 (0.64) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL17731623 0.85 SLC7A5 (0.59) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL121369 0.84 SLC7A5 (0.62) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL630209 0.84 SLC7A5 (0.62) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL16080193 0.84 SLC7A5 (0.62) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL26023571 0.84 SLC7A5 (0.62) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL25982889 0.84 SLC7A5 (0.62) SLC7A5ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL9831417 0.83 SLC7A5 (0.60) 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
EP-0288419-B1 STABLE HYDROGEN PEROXIDE DENTAL GEL CONTAINING FUMED SILICAS Colgate-Palmolive Company (US) 1992-07-08 EP disclosed
US-4839157-A GINGIVITIS TREATMENT COLGATE-PALMOLIVE COMPANY (US) 1989-06-13 US disclosed
EP-0288419-A1 Stable hydrogen peroxide dental gel containing fumed silicas Colgate-Palmolive Company (US) 1988-10-26 EP disclosed