SCHEMBL793694

SCHEMBL793694

CN(C(=O)O)c1cc2ccccc2o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
HPGD P15428 4/20 0.54
MAOB P27338 3/20 0.52
FLT3 P36888 1/20 0.49
KMT2A Q03164 3/20 0.47
NPC1 O15118 3/20 0.47
TSHR P16473 2/20 0.47
MEN1 O00255 2/20 0.47
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
RAB9A P51151 2/20 0.47
CA1 P00915 1/20 0.47
CA3 P07451 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
GPR35 Q9HC97 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 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
SCHEMBL4794781 0.80 MAOB (0.44) ALDH1A1HPGDMAOBFLT3KMT2A
Hydrochloric Acid SCHEMBL4793022 0.79 MAOB (0.43) ALDH1A1HPGDMAOBFLT3KMT2A
SCHEMBL3512248 0.79 MAOB (0.43) ALDH1A1HPGDMAOBFLT3KMT2A
SCHEMBL1253016 0.77 APP (0.47) ALDH1A1HPGDMAOBFLT3KMT2A
SCHEMBL11387072 0.77 FLT3 (0.46) ALDH1A1HPGDMAOBFLT3KMT2A
SCHEMBL15742941 0.75 MAOB (0.41) ALDH1A1HPGDMAOBFLT3KMT2A
SCHEMBL9829565 0.75 FLT3 (0.47) ALDH1A1HPGDMAOBFLT3KMT2A
SCHEMBL17236445 0.74 KDM4E (0.48) ALDH1A1HPGDMAOBFLT3KMT2A
SCHEMBL9114144 0.73 ALDH1A1 (0.46) ALDH1A1HPGDMAOBNPC1RAB9A
SCHEMBL28730192 0.72 MAOB (0.41) ALDH1A1HPGDMAOBFLT3KMT2A

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3247698-B1 CRYSTALLINE MODIFICATION OF PROPANIL UPL LTD (IN) 2022-10-19 EP claimed
EP-2706844-A1 CARRIER MATERIAL FOR IMPROVING THE PERSISTANCE OF BIOCIDES Arpolith GmbH (DE) 2014-03-19 EP claimed
WO-2012156304-A1 CARRIER MATERIAL FOR IMPROVING THE PERSISTANCE OF BIOCIDES ARPOLITH GMBH (DE) 2012-11-22 WO claimed
EP-1989184-B1 INSECTICIDAL N-SUBSTITUTED (6-HALOALKYLPYRIDIN-3-YL)ALKYL SULFOXIMINES DOW AGROSCIENCES LLC (US) 2011-07-06 EP claimed
EP-3914633-B1 DISPERSANTS CLARIANT INT LTD (CH) 2023-11-15 EP disclosed
EP-3914633-A1 DISPERSING AGENT Clariant International Ltd (CH) 2021-12-01 EP disclosed
WO-2020151973-A1 DISPERSING AGENT CLARIANT INTERNATIONAL LTD (CH) 2020-07-30 WO disclosed
EP-3226686-B1 USE OF TRIBUTYLPHENOLALKOXYLATES FOR REDUCING THE DRIFT DURING THE APPLICATION OF PLANT-TREATMENT AGENTS CLARIANT INT LTD (CH) 2019-08-21 EP disclosed
EP-3054771-B1 ETHERIFIED TRI-BUTYLPHENOL ALKOXYLATES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN CROP PROTECTION AGENTS CLARIANT INT LTD (CH) 2018-03-07 EP disclosed
EP-3226686-A1 USE OF TRIBUTYLPHENOL ALKOXYLATES FOR REDUCING THE DRIFT DURING THE APPLICATION OF PLANT TREATMENT AGENTS Clariant International Ltd (CH) 2017-10-11 EP disclosed
EP-3226687-A1 USE OF ALKOXYLATED VEGETABLE OIL DERIVATIVES FOR REDUCING THE DRIFT DURING THE APPLICATION OF PLANT TREATMENT AGENTS Clariant International Ltd (CH) 2017-10-11 EP disclosed
EP-2911506-B1 DRIFT REDUCING COMPOSITIONS CLARIANT INT LTD (CH) 2017-09-13 EP disclosed
WO-2012123094-A2 SUSPENSION CONCENTRATES CLARIANT INTERNATIONAL LTD (CH) 2012-09-20 WO disclosed
WO-2012119772-A1 COMPOSITIONS CONTAINING COPOLYMERS CLARIANT INTERNATIONAL LTD (CH) 2012-09-13 WO disclosed
EP-2480071-A1 PESTICIDE PREPARATIONS CONTAINING DERIVATIVES OF PYRROLIDONE-4-CARBOXYLIC ACID Clariant Finance (BVI) Limited (VG) 2012-08-01 EP disclosed
CN-102595883-A Pesticide preparations containing derivatives of pyrrolidone-4-carboxylic acid CLARIANT INT LTD 2012-07-18 CN disclosed
CN-102497775-A pesticide composition containing polymer adjuvant SPECIALTY FERTILIZER PRO LLC 2012-06-13 CN disclosed
WO-2012034688-A1 USE OF N-SUBSTITUTED 2-PYRROLIDONE-4-CARBONIC ACID ESTERS AS SOLVENTS CLARIANT INTERNATIONAL LTD (CH) 2012-03-22 WO disclosed
WO-2012034689-A1 PESTICIDE PREPARATIONS CONTAINING N-SUBSTITUTED 2-PYRROLIDONE-4-CARBONIC ACID ESTERS CLARIANT INTERNATIONAL LTD (CH) 2012-03-22 WO disclosed
WO-2011035873-A1 PESTICIDE PREPARATIONS CONTAINING DERIVATIVES OF PYRROLIDONE-4-CARBOXYLIC ACID CLARIANT INTERNATIONAL LTD (CH) 2011-03-31 WO disclosed