SCHEMBL7563980

SCHEMBL7563980

O=C(CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(O)c(O)c1)NCCc1ccc(O)c(O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
GAA P10253 1/20 0.55
KMT2A Q03164 1/20 0.55
ERCC1 P07992 1/20 0.47
ERCC4 Q92889 1/20 0.47
PTGS2 P35354 1/20 0.47
JAK3 P52333 1/20 0.47
CTSL P07711 1/20 0.47
SFN P31947 2/20 0.45
CA1 P00915 5/20 0.44
CA2 P00918 5/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
GRIA1 P42261 2/20 0.44
LNPEP Q9UIQ6 1/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL7515768 0.92 PTGS2 (0.51) MEN1GAAKMT2APTGS2JAK3
SCHEMBL7520851 0.92 PTGS2 (0.51) MEN1GAAKMT2APTGS2JAK3
SCHEMBL7709781 0.91 MEN1 (0.56) MEN1GAAKMT2AERCC1ERCC4
SCHEMBL7709387 0.89 CTSL (0.55) MEN1GAAKMT2APTGS2JAK3
SCHEMBL7517509 0.85 CTSL (0.59) MEN1GAAKMT2ACTSLCA1
SCHEMBL7703692 0.85 L3MBTL1 (0.57) MEN1GAAKMT2AERCC1ERCC4
SCHEMBL7554729 0.85 CTSL (0.55) CTSLCA1CA2GRIA1LNPEP
SCHEMBL7516942 0.83 CTSL (0.53) ERCC1ERCC4CTSLCA1CA2
SCHEMBL7712131 0.82 CTSL (0.54) MEN1GAAKMT2APTGS2JAK3
SCHEMBL7709355 0.81 ESRRG (0.51) MEN1GAAKMT2APTGS2JAK3

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