SCHEMBL16488452

SCHEMBL16488452

CC(C)CC(C(=O)OCC1CCCCC1)c1cc(OCC2CC2)c(-c2ccc(C(F)(F)F)cc2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.51
MGLL Q99685 1/20 0.42
PTGER1 P34995 1/20 0.40
CNR1 P21554 1/20 0.40
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38
DHODH Q02127 1/20 0.38
PTGDR2 Q9Y5Y4 3/20 0.37
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
MC4R P32245 2/20 0.36
SLC6A9 P48067 1/20 0.36
SCN8A Q9UQD0 2/20 0.36
SCN10A Q9Y5Y9 2/20 0.36
RORC P51449 1/20 0.35

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
SCHEMBL3659452 0.96 APP (0.54) APPMGLLPTGER1CNR1PSEN1
SCHEMBL3659869 0.88 APP (0.62) APPPTGER1CNR1PSEN1PSEN2
SCHEMBL10301252 0.82 APP (0.51) APPCNR1PSEN1PSEN2APH1B
SCHEMBL3714638 0.79 APP (0.55) APPDHODHPTGDR2
SCHEMBL8031372 0.78 APP (0.49) APPDHODHPTGDR2AKR1C3AKR1C2
SCHEMBL1201218 0.77 APP (0.72) APPCNR1PSEN1PSEN2APH1B
SCHEMBL8044676 0.77 APP (0.59) APPPTGER1CNR1PSEN1PSEN2
SCHEMBL15494189 0.77 APP (0.47) APPDHODHPTGDR2
SCHEMBL3961703 0.77 APP (0.41) APPDHODHPTGDR2RORC
SCHEMBL3659554 0.76 CNR2 (0.39) APPCNR1

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