SCHEMBL5820932

SCHEMBL5820932

COc1cc(O)c(CC=C(C)CCC=C(C)C)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.52
PTPN1 P18031 1/20 0.51
BACE1 P56817 1/20 0.51
BCHE P06276 4/20 0.51
ACHE P22303 2/20 0.51
PPARG P37231 4/20 0.50
PPARA Q07869 3/20 0.50
PPARD Q03181 1/20 0.49
DNMT1 P26358 1/20 0.49
SIRT5 Q9NXA8 1/20 0.49
OSBP P22059 1/20 0.49
MAOB P27338 3/20 0.49
IMPDH2 P12268 1/20 0.49
OPRD1 P41143 1/20 0.48

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
SCHEMBL9714250 0.86 PTPN1 (0.61) APPPTPN1BACE1PPARGPPARA
SCHEMBL9714237 0.86 PTPN1 (0.61) APPPTPN1BACE1PPARGPPARA
SCHEMBL24804426 0.80 PPARG (0.60) APPPTPN1BACE1BCHEACHE
SCHEMBL31312514 0.80 BACE1 (0.55) APPBACE1BCHEACHEPPARG
SCHEMBL28442457 0.79 OPRD1 (0.56) APPPTPN1BACE1BCHEACHE
SCHEMBL11650633 0.79 APP (0.62) APPPTPN1BACE1PPARGPPARA
SCHEMBL5820976 0.79 OPRD1 (0.56) APPPTPN1BACE1BCHEACHE
SCHEMBL7135772 0.79 BACE1 (0.57) APPPTPN1BACE1BCHEACHE
SCHEMBL9788485 0.78 PTPN1 (0.52) PTPN1
Cymopol SCHEMBL21055681 0.78 BACE1 (0.52) APPPTPN1BACE1BCHEACHE

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
WO-2006034392-A2 THERAPEUTIC QUINONES REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2006-03-30 WO disclosed