SCHEMBL7709356

SCHEMBL7709356

NC(=O)CC[C@H](NC(=O)c1ccc(O)c(O)c1)C(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.50
LNPEP Q9UIQ6 4/20 0.48
HPGDS O60760 4/20 0.48
CA2 P00918 4/20 0.47
CA1 P00915 3/20 0.47
MME P08473 1/20 0.44
ECE1 P42892 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
ERAP2 Q6P179 3/20 0.42
ERAP1 Q9NZ08 2/20 0.42
F10 P00742 1/20 0.42
PRSS1 P07477 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL7046023 0.87 ACE (0.60) ACECA2CA1MMEECE1
SCHEMBL7709762 0.86 ACE (0.47) ACELNPEPHPGDSCA2CA1
SCHEMBL7511099 0.85 ACE (0.64) ACELNPEPHPGDS
SCHEMBL5652507 0.84 ACE (0.52) ACELNPEPHPGDSCA2CA1
SCHEMBL4621148 0.84 MAPT (0.55) ACELNPEPHPGDSCA2CA1
SCHEMBL7523142 0.83 ACE (0.50) ACELNPEPHPGDSERAP2ERAP1
SCHEMBL4623715 0.83 GPR132 (0.53) ACEHPGDSMRGPRX4SMN1; SMN2
SCHEMBL2246648 0.80 ACE (0.47) ACELNPEPHPGDSCA2CA1
SCHEMBL2246727 0.80 HPGDS (0.51) ACELNPEPHPGDSCA2CA1
SCHEMBL4919347 0.80 MME (0.56) MMEECE1SMN1; SMN2

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