SCHEMBL16488448

SCHEMBL16488448

Bc1cc(C(CC(C)C)C(=O)OCC)cc(Cl)c1OCC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.41
PSEN1 P49768 3/20 0.38
PSEN2 P49810 3/20 0.38
APH1B Q8WW43 3/20 0.38
NCSTN Q92542 3/20 0.38
APH1A Q96BI3 3/20 0.38
PSENEN Q9NZ42 3/20 0.38
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
LMNA P02545 2/20 0.32
PAX8 Q06710 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL3654263 0.88 APP (0.41) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL3659775 0.83 APP (0.63) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL3656710 0.81 APP (0.37) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL3655774 0.81 APP (0.37) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL3656021 0.77 APP (0.47) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL13968116 0.73 APP (0.42) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL3661808 0.72 CNR2 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3657568 0.72 APP (0.50) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL3657899 0.72 APP (0.49) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL1201874 0.72 GAA (0.38) PSEN1PSEN2APH1BNCSTNAPH1A

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