SCHEMBL4459850

SCHEMBL4459850

[CH2]C(O)CCOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49
KCNH2 Q12809 1/20 0.49
ACHE P22303 1/20 0.48
SLC6A4 P31645 1/20 0.48
ALDH1A1 P00352 3/20 0.48
GAA P10253 2/20 0.48

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
SCHEMBL6138558 0.84 MAPT (0.57) MAPTCRHBPCRHR2L3MBTL1DRD2
SCHEMBL8482260 0.83 ALDH1A1 (0.57) MAPTALDH1A1GAA
SCHEMBL14515208 0.83 GAA (0.53) MAPTCRHBPCRHR2L3MBTL1DRD2
SCHEMBL5044155 0.83 GAA (0.53) MAPTCRHBPCRHR2L3MBTL1DRD2
SCHEMBL14515221 0.83 GAA (0.53) MAPTCRHBPCRHR2L3MBTL1DRD2
SCHEMBL11664062 0.81 MAPT (0.51) MAPTCRHBPCRHR2L3MBTL1DRD2
SCHEMBL6228523 0.80 MAPT (0.65) MAPTL3MBTL1DRD2DRD4DRD3
SCHEMBL9482339 0.80 MAPT (0.50) MAPTCRHBPCRHR2L3MBTL1DRD2
SCHEMBL9482342 0.80 MAPT (0.50) MAPTCRHBPCRHR2L3MBTL1DRD2
SCHEMBL2564281 0.80 TDP1 (0.56) MAPTCRHBPCRHR2L3MBTL1DRD2

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 disclosed
EP-1727909-A1 METHOD AND TEST-KIT FOR THE DETECTION AND QUANTIFICATION OF ORGANISMS Goldschmidt GmbH (DE) 2006-12-06 EP disclosed
EP-1668124-A2 THERMOSTABLE HYDROLASE Goldschmidt GmbH (DE) 2006-06-14 EP disclosed
WO-2005093089-A1 METHOD AND TEST-KIT FOR THE DETECTION AND QUANTIFICATION OF ORGANISMS GOLDSCHMIDT GESELLSCHAFT MIT BESCHRÄNKTER HAFTUNG (DE) 2005-10-06 WO 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