SCHEMBL5828704

SCHEMBL5828704

COc1ccc2oc(C=Cc3ccccc3)cc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 9/20 0.74
ALDH1A1 P00352 3/20 0.58
HPGD P15428 3/20 0.58
TP53 P04637 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
CYP3A4 P08684 1/20 0.58
MAPT P10636 3/20 0.55
KDM4E B2RXH2 1/20 0.55
TRPA1 O75762 1/20 0.54
MAOA P21397 3/20 0.52
MAOB P27338 3/20 0.52
CYP1A1 P04798 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP1B1 Q16678 1/20 0.51
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PLIN1 O60240 1/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL5828701 1.00 APP (0.74) APPALDH1A1HPGDTP53SMN1; SMN2
SCHEMBL1804423 0.91 APP (0.83) APPALDH1A1HPGDTP53SMN1; SMN2
SCHEMBL1804421 0.91 APP (0.83) APPALDH1A1HPGDTP53SMN1; SMN2
SCHEMBL9727779 0.85 APP (0.75) APPALDH1A1HPGDTP53SMN1; SMN2
SCHEMBL1806011 0.85 APP (1.00) APPALDH1A1HPGDTP53SMN1; SMN2
SCHEMBL1806013 0.85 APP (1.00) APPALDH1A1HPGDTP53SMN1; SMN2
SCHEMBL1512213 0.85 APP (0.66) APPALDH1A1HPGDTP53SMN1; SMN2
SCHEMBL1512215 0.85 APP (0.66) APPALDH1A1HPGDTP53SMN1; SMN2
SCHEMBL1808247 0.83 APP (1.00) APPALDH1A1HPGDTP53SMN1; SMN2
SCHEMBL1804704 0.83 APP (1.00) APP

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
US-7094798-B1 Inhibitors of checkpoint kinases (Wee1 and Chk1) PFIZER INC (US) 2006-08-22 US disclosed