SCHEMBL5666945

SCHEMBL5666945

N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OC(=O)c1ccc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.59
▸ POLB P06746 3/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ GLA P06280 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ MEN1 O00255 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ GAA P10253 1/20 0.47
▸ THRB P10828 1/20 0.45
▸ MCL1 Q07820 1/20 0.45
▸ CTDSP1 Q9GZU7 1/20 0.45
▸ DRD4 P21917 1/20 0.45
▸ MAOB P27338 3/20 0.44
▸ MAOA P21397 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ IKBKB O14920 1/20 0.43
▸ RAB9A P51151 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ MC4R P32245 1/20 0.41

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
Beta-Naphtoic Acid SCHEMBL5666952 0.82 KDM4E (0.53) MAPTPOLBKDM4EGLANPSR1
Beta-Naphtoic Acid SCHEMBL5666937 0.82 KDM4E (0.53) MAPTPOLBKDM4EGLANPSR1
SCHEMBL7063442 0.81 RAB9A (0.50) MAPTPOLBKDM4EGLANPSR1
SCHEMBL11651148 0.80 MMP2 (0.49) MAPTNPSR1MAOBALDH1A1LMNA
SCHEMBL16269330 0.77 ALDH1A1 (0.48) MEN1KMT2AMAOBALDH1A1LMNA
SCHEMBL3740377 0.77 ALDH1A1 (0.48) MEN1KMT2AMAOBALDH1A1LMNA
SCHEMBL11208513 0.77 ALDH1A1 (0.48) MEN1KMT2AMAOBALDH1A1LMNA
SCHEMBL6890776 0.76 MEN1 (0.50) MAPTNPSR1MEN1KMT2AMAOB
SCHEMBL297856 0.76 RAB9A (0.42) MAPTPOLBNPSR1MEN1KMT2A
Hydrochloric Acid SCHEMBL6890771 0.75 MC4R (0.49) MAPTNPSR1MEN1KMT2AMAOB

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-1730292-A2 USE OF INDANOYL AMIDE TO STIMULATE SECONDARY METABOLISM IN TAXUS SP. Phyton Biotech, Inc. (US) 2006-12-13 — — EP disclosed
WO-2005079355-A2 USE OF INDANOYL AMIDE TO STIMULATE SECONDARY METABOLISM IN TAXUS SP. PHYTON BIOTECH, INC. (US) 2005-09-01 — — WO disclosed
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