SCHEMBL8677136

SCHEMBL8677136

C=C(c1ccccc1OCc1ccccc1)c1ccccc1C(=O)NCCO

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 6/20 0.60
L3MBTL1 Q9Y468 2/20 0.54
LMNA P02545 2/20 0.54
MAPT P10636 1/20 0.54
ALDH1A1 P00352 2/20 0.51
NPC1 O15118 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
GAA P10253 1/20 0.50
SPHK2 Q9NRA0 1/20 0.50
SPHK1 Q9NYA1 1/20 0.50
BRD4 O60885 1/20 0.50
TDP1 Q9NUW8 1/20 0.48
HCRTR1 O43613 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46

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
SCHEMBL1927224 0.90 SGMS2 (0.74) SGMS2L3MBTL1LMNAMAPTALDH1A1
SCHEMBL8980612 0.82 SGMS2 (0.70) SGMS2L3MBTL1LMNAMAPTALDH1A1
SCHEMBL8677139 0.79 PTGER1 (0.57) SGMS2L3MBTL1LMNAMAPTALDH1A1
SCHEMBL8674882 0.79 SGMS2 (0.54) SGMS2L3MBTL1LMNAMAPTALDH1A1
SCHEMBL18644999 0.78 SGMS2 (0.72) SGMS2L3MBTL1LMNAMAPTALDH1A1
SCHEMBL3018273 0.77 SGMS2 (0.76) SGMS2L3MBTL1LMNAMAPTALDH1A1
SCHEMBL8980728 0.76 SGMS2 (0.70) SGMS2L3MBTL1LMNAMAPTALDH1A1
SCHEMBL8894839 0.74 ALDH1A1 (0.62) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL11291711 0.74 SGMS2 (0.70) SGMS2L3MBTL1LMNAMAPTALDH1A1
SCHEMBL9805921 0.73 SGMS2 (0.57) SGMS2L3MBTL1LMNAMAPTALDH1A1

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-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 US disclosed