SCHEMBL7709387

SCHEMBL7709387

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.55
GRIA1 P42261 3/20 0.53
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 2/20 0.49
GAA P10253 2/20 0.49
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
PTGS1 P23219 1/20 0.49
BLM P54132 1/20 0.49

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
SCHEMBL7520851 0.96 PTGS2 (0.51) CTSLGRIA1CA1CA2CA7
SCHEMBL7515768 0.96 PTGS2 (0.51) CTSLGRIA1CA1CA2CA7
SCHEMBL7517509 0.96 CTSL (0.59) CTSLGRIA1CA1CA2L3MBTL1
SCHEMBL7563980 0.89 MEN1 (0.55) CTSLGRIA1CA1CA2CA7
SCHEMBL7703692 0.88 L3MBTL1 (0.57) CTSLGRIA1CA1CA2L3MBTL1
SCHEMBL7709781 0.88 MEN1 (0.56) GRIA1CA1CA2CA7CA9
SCHEMBL7521380 0.87 CTSS (0.50) CTSLCA1CA2CA7CA9
SCHEMBL7712131 0.85 CTSL (0.54) CTSLCA1CA2CA7CA9
SCHEMBL7554886 0.85 GRIA1 (0.55) GRIA1GAAMAPTSMN1; SMN2CHRND
SCHEMBL7516942 0.84 CTSL (0.53) CTSLGRIA1CA1CA2

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