SCHEMBL4471290

SCHEMBL4471290

CCCCCCCC/C=C\CCCCCCCC(=O)OCC(O)CCOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DGKA P23743 1/20 0.54
▸ FAAH O00519 4/20 0.52
▸ MAPT P10636 3/20 0.51
▸ LPAR1 Q92633 8/20 0.49
▸ LPAR4 Q99677 4/20 0.49
▸ LPAR2 Q9HBW0 4/20 0.49
▸ LPAR3 Q9UBY5 4/20 0.49
▸ ENPP2 Q13822 2/20 0.49
▸ LPAR5 Q9H1C0 2/20 0.49
▸ CES2 O00748 1/20 0.49
▸ LPAR6 P43657 1/20 0.49
▸ TRPV1 Q8NER1 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ CRHBP P24387 1/20 0.47
▸ CRHR2 Q13324 1/20 0.47
▸ CNR2 P34972 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ MGLL Q99685 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
SCHEMBL2227658 0.94 MAPT (0.56) MAPTL3MBTL1CRHBPCRHR2CNR2
SCHEMBL4460728 0.94 MAPT (0.56) MAPTL3MBTL1CRHBPCRHR2CNR2
SCHEMBL4471285 0.94 MAPT (0.56) MAPTL3MBTL1CRHBPCRHR2CNR2
SCHEMBL5038535 0.93 MAPT (0.54) MAPTL3MBTL1CRHBPCRHR2CNR2
SCHEMBL4457525 0.81 MAPT (0.56) MAPTL3MBTL1CRHBPCRHR2ALDH1A1
SCHEMBL6024458 0.81 ALDH1A1 (0.62) DGKAMAPTL3MBTL1CRHBPCRHR2
SCHEMBL9615216 0.81 BCL9 (0.57) MAPTL3MBTL1ALDH1A1TDP1MGLL
SCHEMBL14515276 0.80 MAPT (0.50) MAPTL3MBTL1CRHBPCRHR2ALDH1A1
SCHEMBL23117008 0.79 MAPT (0.48) FAAHMAPTL3MBTL1CRHBPCRHR2
SCHEMBL11761443 0.79 BCL9 (0.67) ALDH1A1TDP1MGLL

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
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