SCHEMBL4472174

SCHEMBL4472174

O=C(O)CCC(O)CCOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
KCNH2 Q12809 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
ACHE P22303 1/20 0.46
SLC6A4 P31645 1/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46
GAA P10253 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
SCHEMBL4472172 0.92 MAPT (0.52) MAPTCRHBPCRHR2KCNH2L3MBTL1
SCHEMBL4613807 0.87 MAPT (0.52) MAPTCRHBPCRHR2KCNH2L3MBTL1
SCHEMBL3032142 0.84 MAPT (0.61) MAPTCRHBPCRHR2KCNH2L3MBTL1
SCHEMBL14515221 0.82 GAA (0.53) MAPTCRHBPCRHR2KCNH2L3MBTL1
SCHEMBL5044155 0.82 GAA (0.53) MAPTCRHBPCRHR2KCNH2L3MBTL1
SCHEMBL14515208 0.82 GAA (0.53) MAPTCRHBPCRHR2KCNH2L3MBTL1
SCHEMBL4656215 0.82 DRD2 (0.57) MAPTCRHBPCRHR2KCNH2L3MBTL1
SCHEMBL11664062 0.81 MAPT (0.51) MAPTCRHBPCRHR2KCNH2L3MBTL1
SCHEMBL4612581 0.81 MAPT (0.57) MAPTCRHBPCRHR2KCNH2L3MBTL1
SCHEMBL4864396 0.81 MAPT (0.54) MAPTCRHBPCRHR2KCNH2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595181-B2 From thermophilic microorganisms; active at high temperature PROTEUS S.A. (FR) 2009-09-29 US claimed
US-7595181-B2 From thermophilic microorganisms; active at high temperature PROTEUS S.A. (FR) 2009-09-29 US disclosed
EP-1668124-A2 THERMOSTABLE HYDROLASE Goldschmidt GmbH (DE) 2006-06-14 EP disclosed
US-20060008887-A1 Production of carboxylic acid and carbonic acid derivatives using a thermostable esterase GOLDSCHMIDT AG (DE) 2006-01-12 US disclosed
US-20050112644-A1 Thermostable hydrolase EVONIK GOLDSCHMIDT GMBH (DE) 2005-05-26 US disclosed
WO-2005040370-A2 THERMOSTABLE HYDROLASE GOLDSCHMIDT GMBH (DE) 2005-05-06 WO disclosed