SCHEMBL7517089

SCHEMBL7517089

O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)c1ccc(O)c(O)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 9/20 0.61
▸ CA1 P00915 6/20 0.61
▸ LNPEP Q9UIQ6 1/20 0.53
▸ MME P08473 2/20 0.51
▸ CTSL P07711 1/20 0.51
▸ CA12 O43570 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ ACE P12821 2/20 0.50
▸ CPA1 P15085 1/20 0.50
▸ ACE2 Q9BYF1 1/20 0.50
▸ PTPN1 P18031 1/20 0.50
▸ ALB P02768 1/20 0.48
▸ IL2 P60568 1/20 0.48
▸ GPR132 Q9UNW8 1/20 0.48

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
SCHEMBL28217500 0.95 CA2 (0.67) CA2CA1LNPEPCA12CA9
SCHEMBL7516005 0.95 CA2 (0.67) CA2CA1LNPEPCA12CA9
SCHEMBL7712141 0.87 CA2 (0.74) CA2CA1MMECA12CA9
SCHEMBL7554729 0.85 CTSL (0.55) CA2CA1LNPEPCTSL
SCHEMBL7516942 0.84 CTSL (0.53) CA2CA1LNPEPCTSL
SCHEMBL7557432 0.84 CA1 (0.54) CA2CA1LNPEPMMECA12
SCHEMBL4054764 0.84 CA2 (0.77) CA2CA1LNPEPMMECTSL
SCHEMBL8671997 0.84 CA2 (0.77) CA2CA1LNPEPMMECTSL
SCHEMBL4054766 0.84 CA2 (0.77) CA2CA1LNPEPMMECTSL
SCHEMBL13091302 0.84 CA2 (0.71) CA2CA1LNPEPCA12CA9

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
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