SCHEMBL11200433

SCHEMBL11200433

CCOP(C)(=O)C(C)Oc1cc(Oc2c(F)c(F)c(C)c(F)c2F)ccc1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ PTGDR Q13258 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ USP10 Q14694 1/20 0.30

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
SCHEMBL11199382 0.96 MAPT (0.34) MAPTALDH1A1LMNACA1CA2
SCHEMBL11202097 0.94 MAPT (0.34) MAPTALDH1A1LMNACA1CA2
SCHEMBL11208301 0.85 MAPT (0.33) MAPTALDH1A1LMNACYP3A4MAPK1
SCHEMBL10947220 0.81 MEN1 (0.41) MAPTALDH1A1LMNACYP3A4TSHR
SCHEMBL10949091 0.80 MEN1 (0.42) MAPTALDH1A1LMNACYP3A4MAPK1
SCHEMBL10952797 0.79 MEN1 (0.41) MAPTALDH1A1LMNACYP3A4MAPK1
SCHEMBL11199866 0.79 MAPT (0.33) MAPTALDH1A1LMNACYP3A4MAPK1
SCHEMBL10947216 0.79 PDE7A (0.48) MAPTALDH1A1LMNAMAPK1
SCHEMBL10949685 0.77 MEN1 (0.54) MAPTALDH1A1LMNACYP3A4MAPK1
SCHEMBL11204589 0.76 MAPT (0.35) MAPTALDH1A1LMNACA1CA2

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-0078536-A2 Phosphinates and phosphonates and their use in the control of weeds SANDOZ AG (CH) 1983-05-11 — — EP disclosed
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