SCHEMBL20879646

SCHEMBL20879646

COc1ccc(P(=O)(O)c2ccc(C(=O)I)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.52
▸ CES1 P23141 2/20 0.52
▸ CA1 P00915 6/20 0.50
▸ CA2 P00918 6/20 0.50
▸ PLK1 P53350 1/20 0.50
▸ HPGD P15428 1/20 0.49
▸ PARP1 P09874 1/20 0.48
▸ PARP10 Q53GL7 1/20 0.48
▸ PARP2 Q9UGN5 1/20 0.48
▸ PARP4 Q9UKK3 1/20 0.48
▸ RAB9A P51151 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ GAA P10253 1/20 0.47

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
SCHEMBL226112 0.87 LMNA (0.56) CES2CES1CA1CA2PLK1
SCHEMBL3238552 0.84 CES2 (0.70) CES2CES1CA1CA2PLK1
Hydrochloric Acid SCHEMBL20873432 0.83 LMNA (0.52) CES2CES1CA1CA2PLK1
Magnesium Chloride Anhydrous SCHEMBL20873433 0.79 LMNA (0.48) CES2CES1CA1CA2PLK1
SCHEMBL2470813 0.79 ACP3 (0.58) CES2CES1CA1CA2HPGD
SCHEMBL233806 0.74 CA2 (0.52) CES2CES1CA1CA2PLK1
SCHEMBL4610179 0.73 CES2 (0.59) CES2CES1CA1CA2PLK1
SCHEMBL18417835 0.72 CA1 (0.50) CES2CES1CA1CA2PLK1
Hydrochloric Acid SCHEMBL5561013 0.72 CA2 (0.50) CES2CES1CA1CA2PLK1
SCHEMBL3402844 0.72 CA2 (0.50) CES2CES1CA1CA2PLK1

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-3467931-A1 PHOSPHORUS ELECTROLYTIC SOLUTION CONTAINING MAGNESIUM IONS FUJIFILM Wako Pure Chemical Corporation (JP) 2019-04-10 — — EP disclosed
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