SCHEMBL7310338

SCHEMBL7310338

CC(C)(C)OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
MAOB P27338 7/20 0.54
MAOA P21397 4/20 0.54
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
BCHE P06276 1/20 0.52
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
KRAS P01116 1/20 0.50
CYP1B1 Q16678 1/20 0.49
APP P05067 1/20 0.49
APEX1 P27695 1/20 0.48
HSPD1 P10809 1/20 0.48
HSPE1 P61604 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
FBP1 P09467 1/20 0.47

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
SCHEMBL7310344 1.00 MEN1 (0.55) MEN1KMT2AMAOBMAOAALDH1A1
SCHEMBL13845314 0.85 CA12 (0.53) MEN1KMT2AALDH1A1LMNAAPP
SCHEMBL4055668 0.85 CA12 (0.53) MEN1KMT2AALDH1A1LMNAAPP
SCHEMBL4055672 0.85 CA12 (0.53) MEN1KMT2AALDH1A1LMNAAPP
SCHEMBL14957825 0.84 MAPT (0.48) MEN1KMT2AMAOBMAOAALDH1A1
SCHEMBL11980044 0.84 KMT2A (0.48) MEN1KMT2AMAOBMAOAALDH1A1
SCHEMBL27852984 0.83 MAPT (0.59) MAOBALDH1A1LMNAMAPT
SCHEMBL522693 0.83 CA12 (0.62) MEN1KMT2AMAOBMAOAALDH1A1
SCHEMBL1231449 0.83 CA12 (0.62) MEN1KMT2AMAOBMAOAALDH1A1
SCHEMBL15083775 0.81 ALOX5 (0.54) MEN1KMT2AMAOBMAOAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3208301-B1 RESIN COMPOSITION AND OPTICAL COMPENSATION FILM USING SAME TOSOH CORP (JP) 2019-04-03 EP claimed
US-10126478-B2 Resin composition and optical compensation film using same TOSOH CORPORATION (JP) 2018-11-13 US claimed
US-20170242174-A1 RESIN COMPOSITION AND OPTICAL COMPENSATION FILM USING SAME TOSOH CORPORATION (JP) 2017-08-24 US claimed
EP-3208301-A1 RESIN COMPOSITION AND OPTICAL COMPENSATION FILM USING SAME Tosoh Corporation (JP) 2017-08-23 EP claimed
EP-3208301-B1 RESIN COMPOSITION AND OPTICAL COMPENSATION FILM USING SAME TOSOH CORP (JP) 2019-04-03 EP disclosed
US-10126478-B2 Resin composition and optical compensation film using same TOSOH CORPORATION (JP) 2018-11-13 US disclosed
US-20170242174-A1 RESIN COMPOSITION AND OPTICAL COMPENSATION FILM USING SAME TOSOH CORPORATION (JP) 2017-08-24 US disclosed
EP-3208301-A1 RESIN COMPOSITION AND OPTICAL COMPENSATION FILM USING SAME Tosoh Corporation (JP) 2017-08-23 EP disclosed
CN-102459231-B Quaternary ammonium salt compound TEIJIN PHARMA LTD 2015-04-22 CN disclosed
CN-102459231-A Quaternary ammonium salt compound TEIJIN PHARMA LTD 2012-05-16 CN disclosed
US-5843948-A Piperazinophenyl- and piperazinophenyloxycarboxylic acid derivatives, and processes and intermediates for their preparation and pharmaceutical compositions comprising them SOLVAY PHARMACEUTICALS GMBH (DE) 1998-12-01 US disclosed