SCHEMBL6676629

SCHEMBL6676629

CC(C)(C)OC(=O)N(Cc1cc([N+](=O)[O-])ccc1F)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
GAA P10253 2/20 0.45
THRB P10828 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ITGA4 P13612 1/20 0.42
ITGB7 P26010 1/20 0.42
HIF1A Q16665 1/20 0.41
ALOX5 P09917 1/20 0.40
POLB P06746 1/20 0.39
NR1D1 P20393 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37

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
SCHEMBL30182750 0.91 ALDH1A1 (0.42) ALDH1A1GAATHRBHTTL3MBTL1
SCHEMBL8164897 0.89 ALDH1A1 (0.44) ALDH1A1GAATHRBHTTL3MBTL1
SCHEMBL6677398 0.88 ITGA4 (0.43) ALDH1A1GAATHRBHTTL3MBTL1
SCHEMBL6681036 0.88 ALDH1A1 (0.45) ALDH1A1HTTITGA4ITGB7ALOX5
SCHEMBL6674892 0.87 MEN1 (0.44) ALDH1A1ITGA4ITGB7ALOX5POLB
SCHEMBL6681796 0.86 ALDH1A1 (0.49) ALDH1A1GAAHTTL3MBTL1ITGA4
SCHEMBL6676222 0.85 MAPT (0.48) ALDH1A1GAATHRBHTTL3MBTL1
SCHEMBL1947561 0.84 LMNA (0.42) ALDH1A1GAAITGA4ITGB7ALOX5
SCHEMBL6676364 0.83 TP53 (0.43) ALDH1A1GAAHTTL3MBTL1ITGA4
SCHEMBL6679090 0.83 ALDH1A1 (0.40) ALDH1A1GAAHTTITGA4ITGB7

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-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP disclosed
US-6534546-B1 Guanidine- or isothioureido-N-derived anilines; brain, nervous system, and neurodegenerative disorders CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-18 US disclosed
US-6414005-B1 BRAIN DISORDERS; ALZHEIMER'S DISEASE; PARKINSON'S DISEASE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-07-02 US disclosed
US-6331553-B1 INHIBITORS OF NITRIC OXIDE SYNTHASE; TREATING CEREBROVASCULAR DISEASES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-12-18 US disclosed
EP-1043312-A1 HETEROCYCLIC COMPOUNDS HAVING NOS INHIBITORY ACTIVITIES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2000-10-11 EP disclosed
EP-0949242-A1 AROMATIC AMINE DERIVATIVES HAVING NOS INHIBITORY EFFECT Chugai Seiyaku Kabushiki Kaisha (JP) 1999-10-13 EP disclosed
EP-0798292-A1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 1997-10-01 EP disclosed