SCHEMBL365216

SCHEMBL365216

Cc1ccc2c(C(N)=O)c3c(OCCc4ccccc4)cc(OC(=O)N(C)C)cn3c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.36
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
SIGMAR1 Q99720 1/20 0.34
SCN9A Q15858 1/20 0.34
PLK1 P53350 1/20 0.34
SIRT2 Q8IXJ6 2/20 0.33
S1PR3 Q99500 1/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
PLA2G10 O15496 1/20 0.33
PLA2G1B P04054 1/20 0.33
PLA2G2A P14555 1/20 0.33
PLA2G5 P39877 1/20 0.33
PLA2G2E Q9NZK7 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPY1R P25929 1/20 0.33

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
SCHEMBL365006 0.93 LTB4R (0.35) ACHECYP11B1CYP11B2SIGMAR1SCN9A
SCHEMBL366612 0.91 ACHE (0.38) ACHECYP11B1CYP11B2SIGMAR1SCN9A
SCHEMBL366531 0.85 MEN1 (0.36) ACHECYP11B1CYP11B2SCN9AKDM4E
SCHEMBL366374 0.84 ALDH1A1 (0.38) ACHESIGMAR1MAPTMEN1KMT2A
SCHEMBL365189 0.84 ACHE (0.37) ACHECYP11B1CYP11B2SIGMAR1SCN9A
SCHEMBL365915 0.82 S1PR3 (0.37) ACHES1PR3MAPTKMT2ANPC1
SCHEMBL365925 0.82 ACHE (0.42) ACHE
SCHEMBL365215 0.78 ACHE (0.36) ACHECYP11B1CYP11B2SIGMAR1SCN9A
SCHEMBL366851 0.78 ALDH1A1 (0.38) SIGMAR1S1PR3KDM4EMAPTMEN1
SCHEMBL365083 0.77 NCEH1 (0.32) PLA2G1BKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed