SCHEMBL7709601

SCHEMBL7709601

O=C(N[C@@H](Cc1ccc(OCc2ccccc2)c(O)c1Cc1ccccc1)C(=O)OCc1ccccc1)c1ccc(O)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 8/20 0.50
ACE P12821 1/20 0.45
TACR1 P25103 8/20 0.44
ERAP2 Q6P179 6/20 0.44
ERAP1 Q9NZ08 4/20 0.44
GPR132 Q9UNW8 1/20 0.42
PPARG P37231 1/20 0.41

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
SCHEMBL7511099 0.81 ACE (0.64) LNPEPACETACR1GPR132
SCHEMBL7553966 0.79 GPR132 (0.58) LNPEPACEERAP2ERAP1GPR132
SCHEMBL7703848 0.78 GPR132 (0.63) LNPEPACETACR1ERAP2GPR132
SCHEMBL7523142 0.75 ACE (0.50) LNPEPACETACR1ERAP2ERAP1
SCHEMBL7709356 0.72 ACE (0.50) LNPEPACEERAP2ERAP1
SCHEMBL7686560 0.72 ITGA4 (0.48) LNPEPACETACR1ERAP2ERAP1
SCHEMBL8408864 0.72 ACE (0.64) LNPEPACETACR1GPR132
SCHEMBL8412255 0.72 ACE (0.57) LNPEPACETACR1ERAP1GPR132
SCHEMBL7522184 0.71 ATM (0.50) LNPEPACEERAP2
SCHEMBL8412259 0.71 ACE (0.56) LNPEPACETACR1ERAP2ERAP1

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