SCHEMBL6138558

SCHEMBL6138558

CC(O)CCOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
CRHBP P24387 1/20 0.57
CRHR2 Q13324 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
GAA P10253 2/20 0.53
ALDH1A1 P00352 2/20 0.53
ACHE P22303 1/20 0.51
SLC6A4 P31645 1/20 0.51
KCNH2 Q12809 3/20 0.50
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49

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
SCHEMBL9482551 0.92 MAPT (0.59) MAPTCRHBPCRHR2L3MBTL1GAA
SCHEMBL7805048 0.91 MAPT (0.65) MAPTCRHBPCRHR2L3MBTL1GAA
SCHEMBL2564281 0.87 TDP1 (0.56) MAPTCRHBPCRHR2L3MBTL1GAA
SCHEMBL4459850 0.84 MAPT (0.53) MAPTCRHBPCRHR2L3MBTL1GAA
SCHEMBL21104158 0.84 MAPT (0.53) MAPTCRHBPCRHR2L3MBTL1GAA
SCHEMBL21104434 0.84 MAPT (0.53) MAPTCRHBPCRHR2L3MBTL1GAA
SCHEMBL1496777 0.83 GAA (0.63) MAPTCRHBPCRHR2L3MBTL1GAA
SCHEMBL27882210 0.83 MAPT (0.56) MAPTCRHBPCRHR2L3MBTL1ALDH1A1
SCHEMBL14515208 0.83 GAA (0.53) MAPTCRHBPCRHR2L3MBTL1GAA
SCHEMBL5044155 0.83 GAA (0.53) MAPTCRHBPCRHR2L3MBTL1GAA

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
EP-2184367-A1 Non-hydrolytic microbial probes Biosynth AG (CH) 2010-05-12 EP disclosed
EP-1311477-A4 NOVEL THIOCARBAMIC ACID DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORP (KR) 2005-01-12 EP disclosed
EP-1311477-A1 NOVEL THIOCARBAMIC ACID DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORPORATION (KR) 2003-05-21 EP disclosed
WO-2002016317-A1 NOVEL THIOCARBAMIC ACID DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORPORATION (KR) 2002-02-28 WO disclosed
US-5196543-A Antidepressants, tranquilizers DELALANDE S.A. (FR) 1993-03-23 US disclosed
US-5036091-A Psychotropic drugs DELALANDE S.A. (FR) 1991-07-30 US disclosed
US-4123614-A USED IN DETECTION AND MEASUREMENT OF BIOLOGICAL SYSTEMS AND/OR COMPONENTS SYNTEX (U.S.A.) INC. (US) 1978-10-31 US disclosed