SCHEMBL3961691

SCHEMBL3961691

CSc1ccc(-c2cc(C(CC3CC3)C(=O)O)ccc2OCC(F)(F)F)cc1.O=C(O)C(CC1CC1)c1ccc(OCC(F)(F)F)c(-c2ccc(Cl)c(Cl)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.53
PSEN1 P49768 2/20 0.53
PSEN2 P49810 2/20 0.53
APH1B Q8WW43 2/20 0.53
NCSTN Q92542 2/20 0.53
APH1A Q96BI3 2/20 0.53
PSENEN Q9NZ42 2/20 0.53
AKR1C3 P42330 7/20 0.45
AKR1C2 P52895 7/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.36
FAAH O00519 2/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
AKR1B10 O60218 1/20 0.34
AKR1C4 P17516 1/20 0.34
AKR1C1 Q04828 1/20 0.34
SLC6A3 Q01959 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL3956714 0.94 APP (0.52) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL1203140 0.94 APP (0.52) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL3961696 0.92 APP (0.45) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL1203030 0.92 APP (0.58) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL1202184 0.88 APP (0.51) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL3956715 0.86 APP (0.44) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL1203318 0.86 APP (0.57) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL1202463 0.86 APP (0.59) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL3657105 0.84 APP (0.74) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL3661970 0.84 APP (0.74) APPPSEN1PSEN2APH1BNCSTN

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-2009036428-A2 1,3,4-TRISUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2009-03-19 WO disclosed