SCHEMBL13618698

SCHEMBL13618698

O=Cc1ccccc1C(=O)N1CC[C@H](O)C1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TP53BP1 Q12888 1/20 0.43
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
PDK2 Q15119 1/20 0.42
RAB9A P51151 2/20 0.41
OPRK1 P41145 1/20 0.40
CXCR1 P25024 1/20 0.40
CXCR2 P25025 1/20 0.40
GRM5 P41594 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CPB1 P15086 1/20 0.40
TSHR P16473 1/20 0.39
GAA P10253 1/20 0.39
VNN1 O95497 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38

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
SCHEMBL21891703 0.80 CPB1 (0.60) L3MBTL3L3MBTL1TP53BP1ALOX5APFEN1
SCHEMBL13618525 0.79 ALDH1A1 (0.62) ALDH1A1
SCHEMBL8804588 0.78 HTT (0.47) L3MBTL3L3MBTL1TP53BP1ALOX5APFEN1
SCHEMBL24696444 0.77 CYP2C19 (0.50) L3MBTL3L3MBTL1TP53BP1RAB9AALDH1A1
SCHEMBL22551122 0.76 HTT (0.55) L3MBTL3L3MBTL1TP53BP1ALDH1A1TSHR
SCHEMBL5871923 0.74 ACHE (0.62) L3MBTL3L3MBTL1PDK2RAB9AGRM5
SCHEMBL12442621 0.74 ACHE (0.62) L3MBTL3L3MBTL1PDK2RAB9AGRM5
SCHEMBL2720515 0.74 ACHE (0.62) L3MBTL3L3MBTL1PDK2RAB9AGRM5
SCHEMBL23133295 0.74 HTT (0.62) L3MBTL3L3MBTL1ALDH1A1
SCHEMBL31350912 0.74 ALDH1A1 (0.58) ALDH1A1

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-2009140467-A1 OXOBENZINDOLIZINOQUINOLINES AND USES THEREOF PURDUE RESEARCH FOUNDATION (US) 2009-11-19 WO disclosed