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Sugi Predict / Compounds / SCHEMBL6072598

SCHEMBL6072598

SCHEMBL6072598

COP(=O)(OCC(=O)c1ccc(C)cc1)Oc1ccc([N+](=O)[O-])cc1.COc1ccc(C(=O)COP(=O)(OC)Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ BCHE P06276 1/20 0.53
▸ ACHE P22303 1/20 0.53
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ MAPT P10636 3/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ PKM P14618 1/20 0.46
▸ GAA P10253 2/20 0.45
▸ MAOA P21397 1/20 0.45
▸ MAOB P27338 1/20 0.45

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
SCHEMBL4447552 0.97 CA1 (0.56) CA1CA2BCHEACHEMEN1
SCHEMBL4456578 0.95 CA1 (0.58) CA1CA2BCHEACHEMEN1
SCHEMBL4452972 0.92 CA1 (0.62) CA1CA2BCHEACHEMEN1
SCHEMBL4456869 0.86 CA1 (0.55) CA1CA2BCHEACHEMEN1
SCHEMBL4452675 0.86 CA1 (0.58) CA1CA2BCHEACHEMEN1
SCHEMBL9316652 0.84 CA1 (0.51) CA1CA2BCHEACHEMEN1
SCHEMBL9316665 0.84 MEN1 (0.55) CA1CA2BCHEACHEMEN1
SCHEMBL9316348 0.78 CA1 (0.56) CA1CA2BCHEACHEMEN1
SCHEMBL11133530 0.77 PKM (0.64) ACHEMEN1KMT2AALDH1A1PKM
SCHEMBL26083579 0.77 MEN1 (0.64) MEN1KMT2AMAPTRAB9AALDH1A1

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-2006102069-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF HYPERTENSION AND GASTROINTESTINAL DISORDERS MICROBIA, INC. (US) 2006-09-28 — — WO disclosed