SCHEMBL10667115

SCHEMBL10667115

O=C(O)c1cc(Oc2c(Cl)cc(C(F)(F)F)cc2Cl)ccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
TTR P02766 1/20 0.52
PPOX P50336 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MRGPRX4 Q96LA9 5/20 0.50
THRB P10828 5/20 0.47
THRA P10827 4/20 0.45
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
FFAR1 O14842 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ACLY P53396 1/20 0.40
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39

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
SCHEMBL9751346 0.92 MEN1 (0.48) MEN1TTRPPOXKMT2ATDP1
SCHEMBL9751305 0.89 MEN1 (0.47) MEN1TTRPPOXKMT2ATDP1
SCHEMBL11865317 0.88 MEN1 (0.49) MEN1TTRPPOXKMT2ATDP1
SCHEMBL11858023 0.85 CFTR (0.45) MEN1TTRPPOXKMT2ATDP1
SCHEMBL10552727 0.83 TDP1 (0.76) MEN1TTRPPOXKMT2ATDP1
SCHEMBL6290662 0.83 MEN1 (0.72) MEN1TTRPPOXKMT2ATDP1
SCHEMBL10495354 0.83 MEN1 (0.42) MEN1TTRPPOXKMT2ATDP1
Hydrochloric Acid SCHEMBL10553440 0.82 MEN1 (0.74) MEN1TTRPPOXKMT2ATDP1
SCHEMBL10495336 0.82 MEN1 (0.42) MEN1TTRPPOXKMT2ATDP1
SCHEMBL10495337 0.82 MEN1 (0.42) MEN1TTRPPOXKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3957852-A HERBICIDES ISHIHARA SANGYO KAISHA LTD. (JA) 1976-05-18 US claimed
US-4778914-A FOR HALOGENATED DIPHENYL ETHER HERBICIDE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-10-18 US disclosed
US-4388472-A Substituted diphenyl ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-06-14 US disclosed
EP-0023100-B1 HERBICIDAL COMPOSITIONS COMPRISING A DIPHENYL ETHER COMPOUND IN ADMIXTURE WITH ANOTHER HERBICIDE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-11-10 EP disclosed
EP-0023100-A1 Herbicidal compositions comprising a diphenyl ether compound in admixture with another herbicide IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-01-28 EP disclosed