SCHEMBL6140986

SCHEMBL6140986

O=[N+]([O-])c1ccc(COCCO)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
IDO1 P14902 3/20 0.58
AKR1C3 P42330 1/20 0.56
LOXL2 Q9Y4K0 1/20 0.48
MAOB P27338 2/20 0.48
ALDH1A1 P00352 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 3/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PLA2G4B P0C869 1/20 0.43
MAOA P21397 1/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL15137494 0.97 TSHR (0.56) TSHRIDO1AKR1C3LOXL2MAOB
SCHEMBL15137488 0.97 TSHR (0.56) TSHRIDO1AKR1C3LOXL2MAOB
SCHEMBL22121179 0.90 TSHR (0.56) TSHRIDO1AKR1C3LOXL2MAOB
SCHEMBL9232194 0.88 TSHR (0.54) TSHRIDO1AKR1C3LOXL2MAOB
SCHEMBL3131240 0.85 IDO1 (0.61) TSHRIDO1AKR1C3LOXL2MAOB
SCHEMBL37463 0.85 IDO1 (0.70) TSHRIDO1AKR1C3LOXL2MAOB
SCHEMBL6140983 0.84 IDO1 (0.59) TSHRIDO1AKR1C3LOXL2MAOB
SCHEMBL6198529 0.82 IDO1 (0.58) TSHRIDO1AKR1C3LOXL2ALDH1A1
SCHEMBL8424297 0.82 IDO1 (0.58) TSHRIDO1AKR1C3LOXL2MAOB
SCHEMBL6141311 0.82 IDO1 (0.58) TSHRIDO1AKR1C3LOXL2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1517881-A1 4-(3,3-DIHALO-ALLYLOXY)PHENOXY ALKYL DERIVATIVES Syngenta Participations AG (CH) 2005-03-30 EP disclosed
WO-2004002943-A1 4-(3,3-DIHALO-ALLYLOXY)PHENOXY ALKYL DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2004-01-08 WO disclosed
US-4584396-A Substituted phenoxypropionates and herbicidal compositions NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-04-22 US disclosed
EP-0068260-B1 SUBSTITUTED PHENOXYPROPIONATES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-03-05 EP disclosed
EP-0086392-B1 HERBICIDAL AGENT CONTAINING METAMITRON IN COMBINATION WITH CERTAIN PHENOXYPROPIONIC-ACID ESTERS BAYER AG (DE) 1985-08-21 EP disclosed
US-4441913-A PRE- AND POST-EMERGENCE NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1984-04-10 US disclosed
EP-0086392-A1 Herbicidal agent containing metamitron in combination with certain phenoxypropionic-acid esters BAYER AG (DE) 1983-08-24 EP disclosed
EP-0084819-A2 Herbicidal agents containing methabenzthiazuron in combination with certain phenoxypropionic acid esters BAYER AG (DE) 1983-08-03 EP disclosed
EP-0068260-A2 Substituted phenoxypropionates, process for their preparation and their use as herbicides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1983-01-05 EP disclosed