SCHEMBL7554886

SCHEMBL7554886

O=C(CCc1ccc(O)c(O)c1)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCc1ccc(O)c(O)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 8/20 0.55
CHRND Q07001 6/20 0.53
CHRNA1 P02708 2/20 0.53
CHRNG P07510 2/20 0.53
CHRNB1 P11230 2/20 0.53
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA4 P43681 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRM1 Q13255 1/20 0.50

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
SCHEMBL7703636 0.88 MME (0.50) GRIA1
SCHEMBL7709387 0.85 CTSL (0.55) GRIA1CHRNDGAAMAPTSMN1; SMN2
SCHEMBL7515768 0.84 PTGS2 (0.51) GRIA1CHRNDGAAMAPT
SCHEMBL7520851 0.84 PTGS2 (0.51) GRIA1CHRNDGAAMAPT
SCHEMBL5370187 0.83 NAALAD2 (0.54) GRIA1GAAMAPTSMN1; SMN2
SCHEMBL7709347 0.83 NAALAD2 (0.54) GRIA1GAAMAPTSMN1; SMN2
SCHEMBL7709781 0.82 MEN1 (0.56) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL7605515 0.82 MAPT (0.54) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL7517509 0.81 CTSL (0.59) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL7689080 0.80 CTSS (0.65) MAPT

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-6362165-B1 Hydroxyphenyl derivatives with HIV integrase inhibitory properties PHARMACOR INC. (CA) 2002-03-26 US disclosed
EP-1165492-A1 HYDROXYPHENYL DERIVATIVES WITH HIV INTEGRASE INHIBITORY PROPERTIES Pharmacor Inc. (CA) 2002-01-02 EP disclosed
WO-2000059867-A1 HYDROXYPHENYL DERIVATIVES WITH HIV INTEGRASE INHIBITORY PROPERTIES PHARMACOR INC. (CA) 2000-10-12 WO disclosed