SCHEMBL16488458

SCHEMBL16488458

C=C(OCC)C1(c2cc(Cl)c(OCC(F)(F)F)c(-c3ccc(SC)cc3)c2)CCC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
BDKRB1 P46663 2/20 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
SCHEMBL3655934 0.90 APP (0.40) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL3656212 0.86 APP (0.44) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL3663037 0.80 APP (0.42) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL8031700 0.80 APP (0.49) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL3658526 0.79 APP (0.41) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL4376035 0.79 APP (0.38) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL16284090 0.78 OPRM1 (0.40)
SCHEMBL4381300 0.78 APP (0.44) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL4379440 0.78 APP (0.49) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL3659542 0.77 APP (0.49) 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
EP-2234954-B1 TETRASUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS INC (US) 2015-02-18 EP disclosed