SCHEMBL4592812

SCHEMBL4592812

O=C(O)C(O)(c1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.56
CYP2C9 P11712 2/20 0.56
CES1 P23141 2/20 0.53
CES2 O00748 1/20 0.53
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
POLB P06746 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MITF O75030 1/20 0.50
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
CRHBP P24387 1/20 0.46
ATM Q13315 1/20 0.46
CRHR2 Q13324 1/20 0.46
TLR9 Q9NR96 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL9145056 1.00 CYP19A1 (0.56) CYP19A1CYP2C9CES1CES2ALDH1A1
SCHEMBL9144366 1.00 CYP19A1 (0.56) CYP19A1CYP2C9CES1CES2ALDH1A1
SCHEMBL2812395 0.94 TDP1 (0.53) CYP19A1CYP2C9CES1CES2ALDH1A1
SCHEMBL6871299 0.86 CYP19A1 (0.54) CYP19A1CES1CES2ALDH1A1LMNA
SCHEMBL6810140 0.81 CES1 (0.51) CYP19A1CES1CES2ALDH1A1LMNA
SCHEMBL6810221 0.81 CES1 (0.51) CYP19A1CES1CES2ALDH1A1LMNA
Benzylic Acid SCHEMBL7066 0.80 CYP2C9 (0.74) CYP2C9ALDH1A1LMNAKMT2AL3MBTL1
SCHEMBL10879986 0.79 TDP1 (0.53) CYP19A1CES1CES2ALDH1A1LMNA
SCHEMBL5417523 0.79 NPSR1 (0.49) CYP2C9ALDH1A1MEN1KMT2ATDP1
Benzylic Acid SCHEMBL11049826 0.78 CYP2C9 (0.71) CYP2C9ALDH1A1LMNAMEN1KMT2A

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
US-7442485-B2 Lithographic process involving on press development FUJIFILM CORPORATION (JP) 2008-10-28 US disclosed
EP-1484177-B1 Lithographic process involving on press development FUJIFILM CORP (JP) 2007-08-29 EP disclosed
US-20050016402-A1 Lithographic process involving on press development FUJI PHOTO FILM CO., LTD. 2005-01-27 US disclosed
EP-1484177-A2 Lithographic process involving on press development FUJI PHOTO FILM CO., LTD. (JP) 2004-12-08 EP disclosed
CN-1034078-C Boronic acid adducts of rhenium dioxime and technetium-99M dioxime complexes containing biochemically active groups BURA SCIENCE AND TECH INTERNAT (US) 1997-02-19 CN disclosed
US-5387409-A Diagnostic imaging agents, e.g. hypoxic tissue; radiotherapy; kits BRACCO INTERNATIONAL B.V. (NL) 1995-02-07 US disclosed
EP-0441491-A1 Boronic acid adducts of rhenium dioxime and technetium-99M dioxime complexes containing a biochemically active group BRACCO INTERNATIONAL B.V. (NL) 1991-08-14 EP disclosed