SCHEMBL6207441

SCHEMBL6207441

COc1ccc(C(=O)C(c2ccc(CCOCc3ccccc3)cc2)C(OC(C)=O)C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ATM Q13315 2/20 0.40
POLB P06746 2/20 0.40
GPR52 Q9Y2T5 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
CNR2 P34972 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL6206768 0.86 MAOB (0.52) L3MBTL1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6206497 0.86 MAOB (0.52) L3MBTL1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6207933 0.81 TDP1 (0.52) TDP1L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL27615709 0.75 TDP1 (0.77) TDP1L3MBTL1NPC1RAB9AMEN1
SCHEMBL8338571 0.75 TDP1 (0.77) TDP1L3MBTL1NPC1RAB9AMEN1
SCHEMBL6208279 0.75 NPC1 (0.62) TDP1L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL6207388 0.74 ALDH1A1 (0.43) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL6540328 0.72 MAOB (0.56) TDP1L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL6255364 0.71 NNMT (0.44) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL8716189 0.71 L3MBTL1 (0.70) TDP1L3MBTL1NPC1RAB9AMAPT

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-1583749-A1 OXAZOLE DERIVATIVES AS INHIBITORS OF CYCLOOXYGENASE Astellas Pharma Inc. (JP) 2005-10-12 EP disclosed
WO-2004065374-A1 OXAZOLE DERIVATIVES AS INHIBITORS OF CYCLOOXYGENASE ASTELLAS PHARMA INC. (JP) 2004-08-05 WO disclosed