SCHEMBL8949976

SCHEMBL8949976

CCOC(=O)C(Oc1ccc([N+](=O)[O-])cc1)C(=O)O.[Mg+2]

nearest known ligand 0.54

Known targets — ChEMBL curated mechanism

ATP4AATP4BGABBR1GABBR2HMGCR

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
HTR2A P28223 1/20 0.47
BCL9 O00512 1/20 0.47
CTNNB1 P35222 1/20 0.47
RAB9A P51151 2/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 5/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
GAA P10253 2/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL15516165 0.91 MAPT (0.59) MAPTCRHBPCRHR2L3MBTL1HTR2A
SCHEMBL7548121 0.83 MAPT (0.51) MAPTCRHBPCRHR2L3MBTL1HTR2A
SCHEMBL9306479 0.82 KMT2A (0.54) MAPTCRHBPCRHR2L3MBTL1RAB9A
SCHEMBL655938 0.81 MAPT (0.58) MAPTCRHBPCRHR2L3MBTL1HTR2A
SCHEMBL11708706 0.80 MAPT (0.56) MAPTCRHBPCRHR2L3MBTL1HTR2A
SCHEMBL30098369 0.80 MAPT (0.56) MAPTCRHBPCRHR2L3MBTL1HTR2A
SCHEMBL3535210 0.80 MAPT (0.56) MAPTCRHBPCRHR2L3MBTL1HTR2A
SCHEMBL7749276 0.80 MAPT (0.53) MAPTCRHBPCRHR2L3MBTL1HTR2A
SCHEMBL3629791 0.80 SMN1; SMN2 (0.56) MAPTCRHBPCRHR2L3MBTL1HTR2A
SCHEMBL6701306 0.78 MAPT (0.52) MAPTCRHBPCRHR2L3MBTL1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5576167-A Photographic element containing a stable aryloxypyrazolone coupler and process employing same EASTMAN KODAK COMPANY (US) 1996-11-19 US disclosed