SCHEMBL9587283

SCHEMBL9587283

Oc1ccc(Oc2ncc(C(F)(F)F)cc2F)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 5/20 0.48
MAPK1 P28482 1/20 0.48
SCN9A Q15858 1/20 0.47
LMNA P02545 4/20 0.45
ALDH1A1 P00352 2/20 0.44
PKM P14618 1/20 0.44
HTT P42858 2/20 0.43
HPGD P15428 1/20 0.43
LIPE Q05469 1/20 0.42
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
XBP1 P17861 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
FFAR1 O14842 1/20 0.41

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
SCHEMBL10846099 0.84 RAB9A (0.74) RAB9ASMN1; SMN2MAPK1SCN9AALDH1A1
SCHEMBL31251923 0.84 RAB9A (0.73) RAB9ASMN1; SMN2MAPK1LMNAALDH1A1
SCHEMBL5687596 0.84 RAB9A (0.73) RAB9ASMN1; SMN2MAPK1LMNAALDH1A1
SCHEMBL9823893 0.83 RAB9A (0.47) RAB9ASMN1; SMN2SCN9ALMNAALDH1A1
SCHEMBL9752071 0.81 POLB (0.52) RAB9ASMN1; SMN2SCN9ALMNAALDH1A1
SCHEMBL10845453 0.80 RAB9A (0.46) RAB9ASMN1; SMN2SCN9ALMNAALDH1A1
SCHEMBL10650195 0.79 LMNA (0.44) RAB9ASMN1; SMN2SCN9ALMNAALDH1A1
SCHEMBL8465511 0.78 MAPK1 (0.71) SMN1; SMN2MAPK1LMNALIPEMEN1
SCHEMBL9397562 0.78 SMN1; SMN2 (0.48) SMN1; SMN2SCN9ALMNAALDH1A1PKM
SCHEMBL9194781 0.78 SMN1; SMN2 (0.48) SMN1; SMN2SCN9ALMNAALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5180417-A 4-((aryloxy)phenoxy)fluoroalkanoic acid derivatives and their herbicidal uses DOWELANCO (US) 1993-01-19 US disclosed
US-5032168-A 4-((aryloxy)phenoxy)fluoroalkanoic acid derivatives and their herbicidal uses DOWELANCO (US) 1991-07-16 US disclosed
US-RE33478-E POSTEEMERGENECE, PREEMERGENCE HERBICIDES THE DOW CHEMICAL COMPANY (US) 1990-12-11 US disclosed
US-4851539-A PYRIDINYLOXY (AND THIO) PHENOXYALKANOIC ACIDS, HERBICIDES THE DOW CHEMICAL COMPANY (US) 1989-07-25 US disclosed
US-4832736-A PLANT GROWTH REGULATORS CIBA-GEIGY CORPORATION (US) 1989-05-23 US disclosed
EP-0097460-B1 PYRIDYL(OXY/THIO)PHENOXY COMPOUNDS, HERBICIDAL COMPOSITIONS AND METHODS THE DOW CHEMICAL COMPANY (US) 1988-04-06 EP disclosed
US-4678509-A GRASSY WEEDS THE DOW CHEMICAL COMPANY (US) 1987-07-07 US disclosed
US-4565568-A Pyridyl(oxy/thio)phenoxy compounds, herbicidal compositions and methods THE DOW CHEMICAL COMPANY (US) 1986-01-21 US disclosed
US-4532328-A Process for making optically active esters of phenoxyphenoxypropionic acids or pyridyloxyphenoxypropionic acids THE DOW CHEMICAL COMPANY (US) 1985-07-30 US disclosed
EP-0097460-A1 Pyridyl(oxy/thio)phenoxy compounds, herbicidal compositions and methods THE DOW CHEMICAL COMPANY (US) 1984-01-04 EP disclosed