SCHEMBL6908907

SCHEMBL6908907

CCOc1ccc(C(C)(Cc2cccc(Oc3ccccc3)c2)CC(C)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.47
CETP P11597 6/20 0.46
FFAR1 O14842 4/20 0.43
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
RAB9A P51151 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
PTGES O14684 1/20 0.38
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
CNR2 P34972 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
SCHEMBL6912365 0.86 PPARG (0.46) CETPFFAR1TSHRHSD17B10PTGES
SCHEMBL10768533 0.85 LTA4H (0.53) LTA4HCETPFFAR1NPC1POLB
SCHEMBL5531594 0.79 LTA4H (0.48) LTA4HCETPFFAR1NPC1POLB
SCHEMBL3633492 0.78 CETP (0.51) LTA4HCETPFFAR1NPC1POLB
SCHEMBL9861998 0.77 LTA4H (0.49) LTA4HCETPFFAR1NPC1POLB
SCHEMBL9642238 0.77 LTA4H (0.42) LTA4HCETPFFAR1NPC1POLB
SCHEMBL8735068 0.76 LTA4H (0.47) LTA4HCETPFFAR1NPC1POLB
SCHEMBL10548514 0.76 LTA4H (0.47) LTA4HCETPFFAR1FFAR4PTGES
SCHEMBL9029865 0.75 LTA4H (0.49) LTA4HCETPFFAR1NPC1POLB
SCHEMBL9557910 0.75 LTA4H (0.49) LTA4HCETPFFAR1NPC1POLB

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-1490317-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-12-29 EP disclosed
WO-2003082787-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-10-09 WO disclosed