SCHEMBL126366

SCHEMBL126366

O=C(O)CNc1ccc(O)cc1.O=C(O)CNc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.57
MAOB P27338 2/20 0.57
HIF1A Q16665 3/20 0.56
ERCC1 P07992 2/20 0.51
ERCC4 Q92889 2/20 0.51
CYP1A1 P04798 1/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.47
RPS6KA2 Q15349 1/20 0.46
ABAT P80404 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
RAB9A P51151 2/20 0.45
PTPN7 P35236 1/20 0.44
PTPN12 Q05209 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44

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
Benzene SCHEMBL11193867 0.96 CYP1A1 (0.50) MAOAMAOBHIF1AERCC1ERCC4
Phenol SCHEMBL9660796 0.94 ERCC1 (0.49) MAOAMAOBHIF1AERCC1ERCC4
SCHEMBL9743702 0.94 CYP1A1 (0.52) MAOAMAOBHIF1AERCC1ERCC4
SCHEMBL22354 0.94 CYP1A1 (0.52) MAOAMAOBHIF1AERCC1ERCC4
SCHEMBL9745051 0.94 CYP1A1 (0.52) MAOAMAOBHIF1AERCC1ERCC4
Hydrochloric Acid SCHEMBL4820901 0.94 CYP1A1 (0.52) MAOAMAOBHIF1AERCC1ERCC4
SCHEMBL9745182 0.94 CYP1A1 (0.52) MAOAMAOBHIF1AERCC1ERCC4
Hydrochloric Acid SCHEMBL11326485 0.94 CYP1A1 (0.52) MAOAMAOBHIF1AERCC1ERCC4
SCHEMBL11973849 0.92 CYP1A1 (0.50) MAOAMAOBHIF1AERCC1ERCC4
Ammonia Solution, Strong SCHEMBL10883600 0.92 CYP1A1 (0.50) MAOAMAOBHIF1AERCC1ERCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1999256-B1 ALDOLASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM VERENIUM CORP (US) 2012-03-07 EP disclosed
US-20120009634-A1 ALDOLASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM CARGILL, INCORPORATED 2012-01-12 US disclosed
EP-2388316-A2 Aldolases, nucleic acids encoding them and methods for making and using them Verenium Corporation (US) 2011-11-23 EP disclosed
EP-2385108-A1 Aldolases, nucleic acids encoding them and methods for making and using them Verenium Corporation (US) 2011-11-09 EP disclosed
US-8043837-B2 Aldolases, nucleic acids encoding them and methods for making and using them CARGILL, INCORPORATED (US) 2011-10-25 US disclosed
EP-2361976-A2 Polypeptides and biosynthetic pathways for the production of stereoisomers of monatin and their precursors Cargill, Incorporated (US) 2011-08-31 EP disclosed
EP-2322643-A1 Aldolases, nucleic acids encoding them and methods for making and using them Cargill, Incorporated (US) 2011-05-18 EP disclosed
EP-2316962-A1 Aldolases, nucleic acids encoding them and methods for making and using them Cargill, Incorporated (US) 2011-05-04 EP disclosed