SCHEMBL27546292

SCHEMBL27546292

O=CC1(CO)OCCN1c1ccc(N2CCOCC2)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
MAOB P27338 8/20 0.47
LMNA P02545 2/20 0.47
MAOA P21397 2/20 0.47
PTGS1 P23219 1/20 0.47
CALML3 P27482 1/20 0.47
SDHA P31040 1/20 0.47
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 3/20 0.43
F10 P00742 1/20 0.40
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL27529025 0.81 SLC6A9 (0.38)
SCHEMBL27572993 0.75 AKR1C3 (0.39)
SCHEMBL6727353 0.74 MAOB (0.48) NPC1MAOBLMNAMAOAPTGS1
SCHEMBL27523437 0.71
Hydrochloric Acid SCHEMBL27566328 0.70 F10 (0.39) NPC1MAOBLMNAMAOAPTGS1
SCHEMBL27841864 0.70 MAOB (0.47) NPC1MAOBLMNAMAOAPTGS1
SCHEMBL2829206 0.69 MAOB (0.72) MAOBLMNAMAOAPTGS1CALML3
SCHEMBL29822424 0.69 MAOB (0.72) MAOBLMNAMAOAPTGS1CALML3
SCHEMBL2829207 0.69 MAOB (0.72) MAOBLMNAMAOAPTGS1CALML3
SCHEMBL15793246 0.69 MAOB (0.72) MAOBLMNAMAOAPTGS1CALML3

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
CN-1311787-A oxazolidinone derivatives, process for their preparation and pharmaceutical compositions containing them ASTRA ZENECA CO LTD (SE) 2001-09-05 CN disclosed