SCHEMBL8551073

SCHEMBL8551073

CC(O)CC(Oc1ccc(OCc2ccccc2)cc1)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 1/20 0.44
ALOX5 P09917 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
GPR132 Q9UNW8 2/20 0.42
BCHE P06276 1/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
CYP1A2 P05177 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGS2 P35354 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL8553727 0.89 FFAR1 (0.47) MAPK1MEN1KMT2ALMNAALOX5
SCHEMBL8109544 0.85 SMN1; SMN2 (0.44) SMN1; SMN2CYP1A2SLC6A2CYP2C19SLC6A3
SCHEMBL8551523 0.85 CYP17A1 (0.47) KMT2ALMNAL3MBTL1SMN1; SMN2SLC6A2
SCHEMBL8551928 0.82 CYP11B1 (0.43) MAPK1MEN1KMT2ALMNAMAPT
SCHEMBL7773934 0.82 SLC6A4 (0.42) KMT2ALMNAL3MBTL1SMN1; SMN2SLC6A2
SCHEMBL7772046 0.82 SLC6A4 (0.42) KMT2ALMNAL3MBTL1SMN1; SMN2SLC6A2
SCHEMBL8552624 0.81 CYP19A1 (0.47) SMN1; SMN2CYP1A2CYP2C19
SCHEMBL8133883 0.79 CYP17A1 (0.40) LMNAL3MBTL1SMN1; SMN2SLC6A2CYP2C19
SCHEMBL8550029 0.78 CYP19A1 (0.47) CYP2C19
SCHEMBL8552479 0.78 PRKCI (0.44) SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0865431-A2 COMPOUNDS Astra Pharmaceuticals Limited (GB) 1998-09-23 EP disclosed
WO-1997020815-A1 COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1997-06-12 WO disclosed