SCHEMBL11292209

SCHEMBL11292209

CCOC(=O)CCOP(=S)(CC)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ TTR P02766 1/20 0.53
▸ PPOX P50336 1/20 0.53
▸ FFAR1 O14842 3/20 0.41
▸ LMNA P02545 6/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ PPARD Q03181 2/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ MRGPRX4 Q96LA9 1/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL10858870 0.90 MEN1 (0.54) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11294457 0.89 MEN1 (0.54) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11054180 0.85 MEN1 (0.54) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10854243 0.84 MEN1 (0.57) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11048939 0.83 MEN1 (0.51) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10856972 0.83 MEN1 (0.55) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11294454 0.82 MEN1 (0.54) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10948222 0.82 MEN1 (0.62) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11062686 0.82 MEN1 (0.66) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10509736 0.81 MEN1 (0.57) MEN1KMT2ATDP1TTRPPOX

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-0065374-A1 Substituted phosphinates and phosphinothioates and their use for the control of weeds ZOECON CORPORATION (US) 1982-11-24 — — EP disclosed
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