SCHEMBL9978233

SCHEMBL9978233

CC(=O)c1cc(-c2ccc(Cl)cc2)c(OCC(F)(F)F)nn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.46
PTGS2 P35354 5/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
KCNH2 Q12809 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
MAPT P10636 4/20 0.38
MAP4K4 O95819 1/20 0.36
PTGS1 P23219 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
APP P05067 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
LCLAT1 Q6UWP7 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
SCHEMBL410983 0.90 CNR1 (0.48) CNR1PTGS2PTGDR2KCNH2SCN5A
SCHEMBL9978227 0.88 SLC6A3 (0.41) CNR1PTGS2SCN5AMAPTAPP
SCHEMBL412280 0.88 CNR1 (0.47) CNR1PTGS2PTGDR2KCNH2SCN5A
SCHEMBL9978231 0.81 CNR1 (0.61) CNR1PTGS2PTGDR2KCNH2SCN5A
SCHEMBL9978011 0.81 PTGDR2 (0.46) CNR1PTGS2PTGDR2KCNH2SCN5A
SCHEMBL411906 0.80 CNR1 (0.44) CNR1PTGS2PTGDR2KCNH2SCN5A
SCHEMBL9978075 0.80 CNR1 (0.51) CNR1CNR2
SCHEMBL9931435 0.78 KMO (0.47) CNR1PTGS2MAPTNPSR1
SCHEMBL411097 0.77 NPC1 (0.43) CNR1KCNH2SCN5ASCN2ASCN10A
SCHEMBL9973792 0.77 CNR1 (0.74) CNR1CNR2

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-2012080144-A1 OXIME COMPOUNDS AS HDL-CHOLESTEROL RAISING AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 WO disclosed