SCHEMBL4832130

SCHEMBL4832130

O=C(O)CCCCCCCCCOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
HRH3 Q9Y5N1 1/20 0.56
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
PPARA Q07869 2/20 0.55
LTB4R Q15722 1/20 0.55
DRD2 P14416 1/20 0.55
DRD4 P21917 1/20 0.55
DRD3 P35462 1/20 0.55
KCNH2 Q12809 1/20 0.54
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
SERPINE1 P05121 1/20 0.53
ALB P02768 1/20 0.52
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 2/20 0.52
TDP1 Q9NUW8 2/20 0.52

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
SCHEMBL93219 1.00 MAPT (0.58) MAPTL3MBTL1HRH3CRHBPCRHR2
SCHEMBL831256 1.00 MAPT (0.58) MAPTL3MBTL1HRH3CRHBPCRHR2
SCHEMBL28536387 1.00 MAPT (0.58) MAPTL3MBTL1HRH3CRHBPCRHR2
SCHEMBL4612581 0.98 MAPT (0.57) MAPTL3MBTL1HRH3CRHBPCRHR2
SCHEMBL4656215 0.94 DRD2 (0.57) MAPTL3MBTL1HRH3CRHBPCRHR2
SCHEMBL3032142 0.89 MAPT (0.61) MAPTL3MBTL1CRHBPCRHR2DRD2
SCHEMBL10554981 0.87 HRH3 (0.69) MAPTL3MBTL1HRH3CRHBPCRHR2
SCHEMBL9570561 0.87 HRH3 (0.69) MAPTL3MBTL1HRH3CRHBPCRHR2
SCHEMBL10556391 0.87 HRH3 (0.69) MAPTL3MBTL1HRH3CRHBPCRHR2
SCHEMBL5390369 0.87 HRH3 (0.69) MAPTL3MBTL1HRH3CRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024098042-A2 GROWTH-BASED SELECTION PLATFORM FOR NONCANONICAL COFACTOR OXIDIZING ENZYMES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-05-10 WO disclosed
US-7364884-B2 Method for producing a hydroxylation catalyst and the use thereof BASF AKTIENGESELLSCHAFT (DE) 2008-04-29 US disclosed
EP-1625215-B1 METHOD FOR PRODUCING A HYDROXYLATION CATALYST AND THE USE THEREOF BASF AG (DE) 2006-12-13 EP disclosed
US-20060216802-A1 Method for producing a hydroxylation catalyst and the use thereof BASF AKTIENGESSELLSCHAFT (DE) 2006-09-28 US disclosed
EP-1625215-A1 METHOD FOR PRODUCING A HYDROXYLATION CATALYST AND THE USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2006-02-15 EP disclosed
CN-1580036-A Method for synthesizing 10-P-nitrobenz-oxy-capric acid UNIV ZHEJIANG (CN) 2005-02-16 CN disclosed
WO-2004099398-A1 METHOD FOR PRODUCING A HYDROXYLATION CATALYST AND THE USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2004-11-18 WO disclosed