SCHEMBL29068406

SCHEMBL29068406

CCOP(=O)(Oc1ccccc1)Oc1ccccc1.COP(=O)(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
ACHE P22303 2/20 0.49
BCHE P06276 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
NPSR1 Q6W5P4 1/20 0.44
KCNH2 Q12809 1/20 0.43
POLB P06746 2/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
SRC P12931 1/20 0.42
CA12 O43570 1/20 0.42
CA4 P22748 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA5B Q9Y2D0 1/20 0.42

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
SCHEMBL11432841 0.95 CA1 (0.50) CA1CA2ACHEBCHEL3MBTL1
SCHEMBL124095 0.93 CA1 (0.54) CA1CA2ACHEBCHEL3MBTL1
SCHEMBL28546756 0.91 CA1 (0.53) CA1CA2ACHEBCHEL3MBTL1
Phosphoric Acid Diethyl Ester Phenyl Ester SCHEMBL133234 0.89 CA1 (0.59) CA1CA2ACHEBCHEL3MBTL1
SCHEMBL20710747 0.88 PKM (0.53) CA1CA2ACHEBCHEL3MBTL1
Phosphoric Acid Diethyl Ester Phenyl Ester SCHEMBL29756498 0.87 CA1 (0.57) CA1CA2ACHEBCHEL3MBTL1
SCHEMBL132822 0.87 SRC (0.54) L3MBTL1PKMHTTMEN1KMT2A
Ammonia Solution, Strong SCHEMBL11592405 0.85 SRC (0.52) L3MBTL1PKMHTTMEN1KMT2A
SCHEMBL20710726 0.84 CA1 (0.51) CA1CA2ACHEBCHEL3MBTL1
SCHEMBL20704057 0.84 CYP3A4 (0.60) CA1CA2ACHEBCHEL3MBTL1

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
CN-116745025-A membrane for water filtration 水通道蛋白有限公司 2023-09-12 CN disclosed