SCHEMBL9385166

SCHEMBL9385166

CCOC=C(C(=O)OCC)C(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLO1 Q04760 1/20 0.58
▸ GAA P10253 1/20 0.55
▸ CES2 O00748 1/20 0.54
▸ CES1 P23141 1/20 0.54
▸ KMT2A Q03164 6/20 0.50
▸ ALDH1A1 P00352 5/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ MEN1 O00255 3/20 0.47
▸ HTT P42858 2/20 0.47
▸ ATM Q13315 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ CCR6 P51684 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL9385161 1.00 GLO1 (0.58) GLO1GAACES2CES1KMT2A
SCHEMBL9382917 0.85 CES1 (0.49) GLO1GAACES2CES1KMT2A
SCHEMBL9382912 0.85 CES1 (0.49) GLO1GAACES2CES1KMT2A
SCHEMBL30770327 0.85 CES2 (0.66) GLO1GAACES2CES1KMT2A
SCHEMBL9062780 0.85 CES2 (0.66) GLO1GAACES2CES1KMT2A
SCHEMBL10864814 0.81 GLO1 (0.49) GLO1GAACES2KMT2AALDH1A1
SCHEMBL5263495 0.79 ALDH1A1 (0.58) GAACES2CES1KMT2AALDH1A1
SCHEMBL995357 0.79 ALDH1A1 (0.58) GAACES2CES1KMT2AALDH1A1
SCHEMBL995358 0.79 ALDH1A1 (0.58) GAACES2CES1KMT2AALDH1A1
SCHEMBL7435954 0.79 GLO1 (0.75) GLO1GAAKMT2AALDH1A1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0620818-A1 ARYL KETONES AS TESTOSTERONE 5$g(a)-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-26 — — EP disclosed
WO-1993013099-A1 ARYL KETONES AS TESTOSTERONE 5α-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-08 — — WO disclosed
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