SCHEMBL7709781

SCHEMBL7709781

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
GAA P10253 1/20 0.56
KMT2A Q03164 1/20 0.56
SFN P31947 2/20 0.55
PTGS2 P35354 1/20 0.47
JAK3 P52333 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
SLC7A5 Q01650 1/20 0.46
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
CHRND Q07001 6/20 0.44
CHRNA1 P02708 2/20 0.44
CHRNG P07510 2/20 0.44
CHRNB1 P11230 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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 0.91 PTGS2 (0.51) MEN1GAAKMT2APTGS2JAK3
SCHEMBL7520851 0.91 PTGS2 (0.51) MEN1GAAKMT2APTGS2JAK3
SCHEMBL7563980 0.91 MEN1 (0.55) MEN1GAAKMT2ASFNPTGS2
SCHEMBL7709387 0.88 CTSL (0.55) MEN1GAAKMT2ASFNPTGS2
SCHEMBL7557432 0.84 CA1 (0.54) MEN1GAAKMT2ACA1CA2
SCHEMBL7517509 0.84 CTSL (0.59) MEN1GAAKMT2ACA1CA2
SCHEMBL7703692 0.84 L3MBTL1 (0.57) MEN1GAAKMT2APTGS2JAK3
SCHEMBL7554886 0.82 GRIA1 (0.55) GAACHRNDCHRNA1CHRNGCHRNB1
SCHEMBL7709592 0.81 MEN1 (0.80) MEN1GAAKMT2APTGS2JAK3
SCHEMBL7712131 0.81 CTSL (0.54) 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 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