SCHEMBL22417680

SCHEMBL22417680

COc1ccc(COC[C@@H](OC(=O)NCCCO)C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ HDAC4 P56524 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ GHSR Q92847 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ TBXAS1 P24557 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MTNR1A P48039 1/20 0.38
▸ MTNR1B P49286 1/20 0.38

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
SCHEMBL20411414 0.91 KMT2A (0.42) CA1CA2KMT2ALMNAMEN1
SCHEMBL18422360 0.81 CA1 (0.50) CA1CA2KMT2ALMNAMEN1
SCHEMBL19923359 0.81 CA1 (0.50) CA1CA2KMT2ALMNAMEN1
SCHEMBL18422362 0.80 CA1 (0.49) CA1CA2LMNAPOLBHDAC4
SCHEMBL18422361 0.80 CA1 (0.49) CA1CA2LMNAPOLBHDAC4
SCHEMBL18480978 0.74 CA1 (0.54) CA1CA2LMNAL3MBTL1POLB
SCHEMBL18418159 0.74 CA1 (0.43) CA1CA2KMT2ALMNAMEN1
SCHEMBL18418134 0.74 CA1 (0.43) CA1CA2KMT2ALMNAMEN1
SCHEMBL309577 0.71 CA1 (0.60) CA1CA2KMT2ALMNAMEN1
SCHEMBL309576 0.71 CA1 (0.60) CA1CA2KMT2ALMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3328849-B9 1,1,1-TRIFLUORO-3-HYDROXYPROPAN-2-YL CARBAMATE DERIVATIVES AND 1,1,1-TRIFLUORO-4-HYDROXYBUTAN-2-YL CARBAMATE DERIVATIVES AS MAGL INHIBITORS PFIZER (US) 2021-01-06 — — EP disclosed
EP-3328849-B1 1,1,1-TRIFLUORO-3-HYDROXYPROPAN-2-YL CARBAMATE DERIVATIVES AND 1,1,1-TRIFLUORO-4-HYDROXYBUTAN-2-YL CARBAMATE DERIVATIVES AS MAGL INHIBITORS PFIZER (US) 2020-09-09 — — EP disclosed
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