SCHEMBL3847845

SCHEMBL3847845

CCCCCCCCC(C(=O)O)(c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.45
CES2 O00748 3/20 0.42
CES1 P23141 3/20 0.42
GAA P10253 1/20 0.40
SCN5A Q14524 3/20 0.39
SCN9A Q15858 3/20 0.39
NAAA Q02083 1/20 0.38
KIF11 P52732 1/20 0.37
EGFR P00533 1/20 0.37
EPHX1 P07099 3/20 0.36
EPHX2 P34913 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL3660417 1.00 HSP90AA1 (0.45) HSP90AA1CES2CES1GAASCN5A
SCHEMBL3663774 1.00 HSP90AA1 (0.45) HSP90AA1CES2CES1GAASCN5A
SCHEMBL11225018 1.00 HSP90AA1 (0.45) HSP90AA1CES2CES1GAASCN5A
SCHEMBL2299570 1.00 HSP90AA1 (0.45) HSP90AA1CES2CES1GAASCN5A
SCHEMBL3969392 0.94 KIF11 (0.42) HSP90AA1CES2CES1GAAKIF11
SCHEMBL4726278 0.88 CYP2C19 (0.38) HSP90AA1CES2CES1GAAKIF11
SCHEMBL11805458 0.82 NPSR1 (0.43) HSP90AA1CES2CES1GAAALDH1A1
SCHEMBL28899627 0.82 NPSR1 (0.43) HSP90AA1CES2CES1GAAALDH1A1
SCHEMBL3190023 0.81 CYP2C19 (0.39) CES2CES1KIF11ALDH1A1HTT
SCHEMBL11830156 0.80 CYP1A2 (0.41) CES2CES1KIF11ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107090486-B Articles and methods for detecting target microorganisms 3M创新有限公司 2021-09-03 CN disclosed
EP-2089523-A1 ENZYME FOR THE PRODUCTION OF LONG CHAIN PERACID Danisco US, INC., Genencor Division (US) 2009-08-19 EP disclosed
WO-2008063400-A1 ENZYME FOR THE PRODUCTION OF LONG CHAIN PERACID DANISCO US, INC., GENENCOR DIVISION (US) 2008-05-29 WO disclosed
EP-1763578-A2 POLYPEPTIDES HAVING TANNASE AND/OR LIPASE ACTIVITY Leibniz-Institut fuer Pflanzengenetik und Kulturpflanzenforschung (DE) 2007-03-21 EP disclosed
WO-2006002955-A2 POLYPEPTIDES HAVING TANNASE AND/OR LIPASE ACTIVITY LEIBNIZ-INSTITUT FUER PFLANZENGENETIK UND KULTURPFLANZENFORSCHUNG (DE) 2006-01-12 WO disclosed