SCHEMBL432797

SCHEMBL432797

CC(C)(C)OC(=O)N1CC(Oc2nc(Cl)ccc2[N+](=O)[O-])C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MERTK Q12866 1/20 0.43
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
GAA P10253 1/20 0.40
CACNB4 O00305 1/20 0.39
CACNA1A O00555 1/20 0.39
CACNA1G O43497 1/20 0.39
CACNG3 O60359 1/20 0.39
CACNA1F O60840 1/20 0.39
CACNA1H O95180 1/20 0.39
CACNB3 P54284 1/20 0.39
CACNA2D1 P54289 1/20 0.39
CACNG7 P62955 1/20 0.39
CACNA1B Q00975 1/20 0.39
CACNA1D Q01668 1/20 0.39

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
SCHEMBL432685 0.86 ALDH1A1 (0.40) ALDH1A1LMNAMAPTGPR119PIK3CD
SCHEMBL23580556 0.82 CACNB4 (0.41) ALDH1A1LMNAMAPTGPR119CACNB4
SCHEMBL30045189 0.82 CACNB4 (0.41) ALDH1A1LMNAMAPTGPR119CACNB4
SCHEMBL30044261 0.82 GPR119 (0.39) ALDH1A1LMNAMAPTGPR119CACNB4
SCHEMBL462924 0.82 GPR119 (0.39) ALDH1A1LMNAMAPTGPR119CACNB4
SCHEMBL432426 0.82 CACNB4 (0.41) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL23090010 0.82 CACNB4 (0.41) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL29814906 0.82 CACNB4 (0.41) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL6113229 0.81 ALDH1A1 (0.44) POLBL3MBTL1ALDH1A1LMNAMAPT
SCHEMBL24792687 0.81 PIK3CD (0.44) ALDH1A1LMNAMAPTGPR119CACNB4

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-2012012366-A1 PESTICIDAL 3-(ARYLOXY)AZACYCLOALKANES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-01-26 WO disclosed