SCHEMBL11212778

SCHEMBL11212778

COC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1OC

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ TTR P02766 1/20 0.57
▸ PPOX P50336 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ FFAR1 O14842 5/20 0.53
▸ MRGPRX4 Q96LA9 2/20 0.53
▸ SCN8A Q9UQD0 1/20 0.48
▸ SCN10A Q9Y5Y9 1/20 0.48
▸ MAPT P10636 3/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ CFTR P13569 1/20 0.48
▸ MAPK1 P28482 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46

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
SCHEMBL11238106 0.91 TDP1 (0.58) TDP1MEN1TTRPPOXKMT2A
SCHEMBL29448825 0.91 TDP1 (0.58) TDP1MEN1TTRPPOXKMT2A
SCHEMBL11854430 0.91 TDP1 (0.58) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10662019 0.89 TDP1 (0.56) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10661113 0.89 TDP1 (0.56) TDP1MEN1TTRPPOXKMT2A
SCHEMBL8376803 0.89 TDP1 (0.56) TDP1MEN1TTRPPOXKMT2A
SCHEMBL11125892 0.89 TDP1 (0.56) TDP1MEN1TTRPPOXKMT2A
SCHEMBL8382166 0.88 TDP1 (0.55) TDP1MEN1TTRPPOXKMT2A
SCHEMBL8382106 0.88 TDP1 (0.55) TDP1MEN1TTRPPOXKMT2A
SCHEMBL11848309 0.88 TDP1 (0.55) TDP1MEN1TTRPPOXKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0075377-A2 Diphenyl ether compounds, their use as herbicides, and herbicidal compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-03-30 — — EP disclosed
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