SCHEMBL6231069

SCHEMBL6231069

[CH2]c1nc(-c2ccc(OC)cc2)c(-c2ccc(O)cc2)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.51
NOX1 Q9Y5S8 1/20 0.49
ESR1 P03372 1/20 0.48
MAPT P10636 5/20 0.45
TP53 P04637 3/20 0.45
NPC1 O15118 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
APP P05067 2/20 0.44
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
ATM Q13315 1/20 0.43
LTA4H P09960 1/20 0.43
PPARD Q03181 2/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
PTGS2 P35354 1/20 0.41
LMNA P02545 1/20 0.40
RAB9A P51151 2/20 0.40
MIF P14174 1/20 0.40

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
SCHEMBL6231072 0.84 ESR2 (0.53) ESR2NOX1ESR1MAPTTP53
SCHEMBL6539871 0.84 ESR2 (0.53) ESR2NOX1ESR1MAPTTP53
SCHEMBL6208355 0.80 ESR2 (0.49) ESR2NOX1ESR1MAPTTP53
SCHEMBL6233898 0.80 ESR2 (0.49) ESR2NOX1ESR1MAPTTP53
SCHEMBL6538831 0.79 ESR2 (0.47) ESR2NOX1ESR1MAPTTP53
SCHEMBL6539500 0.79 ESR2 (0.47) ESR2NOX1ESR1MAPTTP53
SCHEMBL6230071 0.79 ESR2 (0.47) ESR2NOX1ESR1MAPTTP53
SCHEMBL6231751 0.78 IKBKB (0.47) ESR2NOX1ESR1MAPTTP53
SCHEMBL6208111 0.78 ESR2 (0.47) ESR2NOX1ESR1MAPTTP53
SCHEMBL6539632 0.77 ESR2 (0.45) ESR2NOX1ESR1MAPTTP53

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