SCHEMBL9763016

SCHEMBL9763016

O=C(Oc1ccc(Oc2ccc(Br)cc2F)cc1)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.38
LGALS8 O00214 1/20 0.38
LGALS3 P17931 1/20 0.38
IGFBP3 P17936 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL9762786 0.86 IGFBP3 (0.42) SCN9ALGALS8LGALS3IGFBP3MAPT
SCHEMBL9762927 0.84 KMT2A (0.47) CYP1A2CYP3A4CYP2C19MAPTKMT2A
SCHEMBL10437241 0.83 PARP10 (0.46) CYP3A4CYP2C19MAPTKMT2A
SCHEMBL9762032 0.75 MAPT (0.53) IGFBP3MAPTKMT2A
SCHEMBL10567498 0.75 ESR1 (0.45) MAPTKMT2A
SCHEMBL9761752 0.73 PARP10 (0.49) IGFBP3CYP1A2CYP2C19MAPTKMT2A
SCHEMBL9762780 0.73 MEN1 (0.45) MAPTKMT2A
SCHEMBL10562013 0.70 FPR2 (0.40) SCN9ALGALS8LGALS3KMT2A
SCHEMBL8387961 0.70 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C19MAPTKMT2A
SCHEMBL10561428 0.70 MAPT (0.57) CYP3A4MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5012017-A Peroxide oxidation of halogenated phenoxyphenones to phenoxyophenyl esters, then conversions to phenoxyphenols DOWELANCO (US) 1991-04-30 US disclosed
WO-1989006227-A1 PHENOXYPHENOXYPROPIONATES, INTERMEDIATES THEREOF AND METHODS OF PREPARATION THE DOW CHEMICAL COMPANY (US) 1989-07-13 WO disclosed
EP-0322983-A1 Phenoxyphenoxypropionates, intermediates thereof and methods of preparation THE DOW CHEMICAL COMPANY (US) 1989-07-05 EP disclosed