SCHEMBL7703692

SCHEMBL7703692

O=C(N[C@@H](Cc1ccccc1)C(=O)NCCc1ccc(O)c(O)c1)c1ccc(O)c(O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.57
KMT2A Q03164 3/20 0.55
SLC7A5 Q01650 1/20 0.53
MEN1 O00255 1/20 0.53
GAA P10253 1/20 0.53
CTSL P07711 3/20 0.51
CTSS P25774 2/20 0.51
CTSK P43235 2/20 0.51
TRPV1 Q8NER1 1/20 0.51
CTSB P07858 1/20 0.51
PTGS2 P35354 1/20 0.50
JAK3 P52333 1/20 0.50
GRIA1 P42261 1/20 0.49
HPGDS O60760 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
GLI1 P08151 1/20 0.48
GLI2 P10070 1/20 0.48
ERCC1 P07992 1/20 0.48
ERCC4 Q92889 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
SCHEMBL7517509 0.93 CTSL (0.59) L3MBTL1KMT2ASLC7A5MEN1GAA
SCHEMBL7520851 0.92 PTGS2 (0.51) L3MBTL1KMT2ASLC7A5MEN1GAA
SCHEMBL7515768 0.92 PTGS2 (0.51) L3MBTL1KMT2ASLC7A5MEN1GAA
SCHEMBL7712131 0.90 CTSL (0.54) L3MBTL1KMT2ASLC7A5MEN1GAA
SCHEMBL7709387 0.88 CTSL (0.55) L3MBTL1KMT2AMEN1GAACTSL
SCHEMBL7709355 0.87 ESRRG (0.51) L3MBTL1KMT2ASLC7A5MEN1GAA
SCHEMBL7709190 0.86 PTGS2 (0.52) KMT2ASLC7A5MEN1GAATRPV1
SCHEMBL7703714 0.86 PTGS2 (0.54) KMT2ASLC7A5MEN1GAATRPV1
SCHEMBL7563980 0.85 MEN1 (0.55) KMT2ASLC7A5MEN1GAACTSL
SCHEMBL7521000 0.85 PTGS2 (0.53) KMT2ASLC7A5MEN1GAAPTGS2

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