SCHEMBL7709355

SCHEMBL7709355

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 1/20 0.51
PTGS2 P35354 1/20 0.48
JAK3 P52333 1/20 0.48
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
SLC7A5 Q01650 1/20 0.47
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
PTGS1 P23219 1/20 0.45
BLM P54132 1/20 0.45
HIF1A Q16665 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ALB P02768 1/20 0.45
IL2 P60568 1/20 0.45

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 0.88 PTGS2 (0.51) PTGS2JAK3CA1CA2SLC7A5
SCHEMBL7515768 0.88 PTGS2 (0.51) PTGS2JAK3CA1CA2SLC7A5
SCHEMBL7703692 0.87 L3MBTL1 (0.57) PTGS2JAK3CA1CA2SLC7A5
SCHEMBL7712131 0.86 CTSL (0.54) PTGS2JAK3CA1CA2SLC7A5
SCHEMBL7709387 0.84 CTSL (0.55) ESRRGPTGS2JAK3CA1CA2
SCHEMBL7703714 0.84 PTGS2 (0.54) ESRRGPTGS2JAK3CA1CA2
SCHEMBL7521000 0.83 PTGS2 (0.53) ESRRGPTGS2JAK3CA1CA2
SCHEMBL7709190 0.82 PTGS2 (0.52) PTGS2JAK3CA1CA2SLC7A5
SCHEMBL7712138 0.81 PTGS2 (0.54) PTGS2JAK3CA1CA2CA7
SCHEMBL7563980 0.81 MEN1 (0.55) PTGS2JAK3CA1CA2SLC7A5

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