SCHEMBL7703636

SCHEMBL7703636

O=C(CCc1ccc(O)c(O)c1)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.50
NAALAD2 Q9Y3Q0 1/20 0.50
GRIA1 P42261 1/20 0.49
ACE P12821 6/20 0.49
CPA1 P15085 1/20 0.49
ACE2 Q9BYF1 1/20 0.49
YARS1 P54577 1/20 0.47
FOLH1 Q04609 1/20 0.47
ENPEP Q07075 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
ERCC1 P07992 1/20 0.45
ERCC4 Q92889 1/20 0.45

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
SCHEMBL7709347 0.95 NAALAD2 (0.54) MMENAALAD2GRIA1ACEYARS1
SCHEMBL5370187 0.95 NAALAD2 (0.54) MMENAALAD2GRIA1ACEYARS1
SCHEMBL28794655 0.90 CA1 (0.53) MMENAALAD2GRIA1ACEFOLH1
SCHEMBL7554886 0.88 GRIA1 (0.55) GRIA1
SCHEMBL4147877 0.86 NAALAD2 (0.61) MMENAALAD2GRIA1ACECPA1
SCHEMBL4147882 0.86 NAALAD2 (0.61) MMENAALAD2GRIA1ACECPA1
SCHEMBL4147417 0.82 ITGB3 (0.62) MMENAALAD2GRIA1ACEFOLH1
SCHEMBL4147924 0.82 ITGB3 (0.62) MMENAALAD2GRIA1ACEFOLH1
SCHEMBL4147927 0.82 ITGB3 (0.62) MMENAALAD2GRIA1ACEFOLH1
SCHEMBL4147413 0.82 ITGB3 (0.62) MMENAALAD2GRIA1ACEFOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6362165-B1 Hydroxyphenyl derivatives with HIV integrase inhibitory properties PHARMACOR INC. (CA) 2002-03-26 US disclosed