SCHEMBL6365437

SCHEMBL6365437

COc1ccc(-c2cc(=O)c3c(O)cc(OC)c(OC)c3o2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.80
PLK1 P53350 1/20 0.80
BACE1 P56817 1/20 0.80
APP P05067 3/20 0.74
ALDH1A1 P00352 4/20 0.70
MAPK1 P28482 2/20 0.70
PPARG P37231 1/20 0.70
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
PKM P14618 2/20 0.68
CYP3A4 P08684 2/20 0.68
ABCB1 P08183 1/20 0.68
ABCG2 Q9UNQ0 1/20 0.68
FLT3 P36888 3/20 0.67
CDK8 P49336 2/20 0.64
CDK9 P50750 2/20 0.64
GABRP O00591 1/20 0.64
GABRD O14764 1/20 0.64
KDM1A O60341 1/20 0.64
CCNT1 O60563 1/20 0.64

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
SCHEMBL6359647 0.91 ACHE (0.81) ACHEPLK1BACE1APPPPARG
Moslosooflavone SCHEMBL6070206 0.89 ACHE (1.00) ACHEPLK1BACE1APPALDH1A1
Moslosooflavone SCHEMBL29822243 0.89 ACHE (1.00) ACHEPLK1BACE1APPALDH1A1
SCHEMBL29358951 0.89 APP (0.93) ACHEPLK1BACE1APPALDH1A1
SCHEMBL1476458 0.89 APP (0.66) ACHEPLK1BACE1APPALDH1A1
SCHEMBL31238014 0.88 ALDH1A1 (0.73) ACHEPLK1BACE1APPALDH1A1
SCHEMBL987020 0.88 ALDH1A1 (0.73) ACHEPLK1BACE1APPALDH1A1
SCHEMBL16894632 0.88 ACHE (0.76) ACHEPLK1BACE1APPALDH1A1
SCHEMBL4057928 0.88 ACHE (0.76) ACHEPLK1BACE1ALDH1A1MAPK1
SCHEMBL4272626 0.85 ACHE (0.65) ACHEPLK1BACE1APPALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050181080-A1 Chinese traditional medicines for psoriasis HUANG HSU-SHAN (TW) 2005-08-18 US disclosed
US-20030165533-A1 Chinese traditional medicines for psoriasis HUANG HSU-SHAN (TW) 2003-09-04 US disclosed
US-20030152588-A1 Chinese traditional medicines for psoriasis HUANG HSU-SHAN (TW) 2003-08-14 US disclosed