SCHEMBL8697987

SCHEMBL8697987

CSc1ccccc1CCC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
LMNA P02545 3/20 0.51
IAPP P10997 1/20 0.51
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CHRM2 P08172 1/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL2162246 0.85 KEAP1 (0.48) ALDH1A1LMNAMAPTL3MBTL1CHRM2
SCHEMBL3136680 0.81 LMNA (0.48) ALDH1A1LMNAIAPPMAPTL3MBTL1
SCHEMBL23665897 0.78 CYP4F2 (0.65) ALDH1A1LMNAMAPTL3MBTL1SLC6A2
Naphthalene SCHEMBL28357626 0.76 LMNA (0.44) ALDH1A1LMNAMAPTL3MBTL1CHRM2
SCHEMBL9763265 0.76 CHRM2 (0.46) ALDH1A1LMNAMAPTL3MBTL1CHRM2
SCHEMBL14434948 0.76 IAPP (0.58) ALDH1A1LMNAIAPPMAPTGAA
SCHEMBL5180021 0.76 CHRM2 (0.46) ALDH1A1LMNAMAPTL3MBTL1CHRM2
SCHEMBL712392 0.76 MAPT (0.54) MAPT
SCHEMBL13964136 0.76 MAPT (0.43) ALDH1A1LMNAMAPTL3MBTL1SLC6A2
SCHEMBL8217269 0.75 LMNA (0.40) ALDH1A1LMNAMAPTL3MBTL1CHRM2

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-1998003479-A1 NITRONE DERIVATIVES, PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION, AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1998-01-29 WO disclosed