SCHEMBL20168177

SCHEMBL20168177

CCOC(=O)C(C)(C)C#Cc1cc(C(F)(F)F)ccc1CN1CCN(C(=O)O)CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 14/20 0.54
▸ ALDH1A1 P00352 2/20 0.42
▸ ABHD6 Q9BV23 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ PLA2G7 Q13093 1/20 0.40
▸ PPARD Q03181 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL20137059 0.90 MGLL (0.56) MGLLALDH1A1ABHD6MEN1KMT2A
SCHEMBL29561177 0.80 MGLL (0.59) MGLLABHD6CYP2D6PLA2G7
SCHEMBL20137131 0.80 MGLL (0.59) MGLLABHD6CYP2D6PLA2G7
SCHEMBL20137102 0.78 MGLL (0.77) MGLLABHD6CYP2D6PLA2G7
SCHEMBL20570097 0.77 MGLL (0.48) MGLLABHD6MEN1KMT2ACYP2D6
SCHEMBL29562122 0.76 MGLL (0.50) MGLLABHD6MEN1KMT2ACYP2D6
SCHEMBL20136990 0.76 MGLL (0.50) MGLLABHD6MEN1KMT2ACYP2D6
SCHEMBL18064839 0.76 ALDH1A1 (0.47) MGLLALDH1A1ABHD6MEN1KMT2A
SCHEMBL20769592 0.76 MGLL (0.48) MGLL
SCHEMBL20503399 0.72 MGLL (0.50) MGLLABHD6MEN1KMT2ACYP2D6

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-3541821-A1 MAGL INHIBITORS Abide Therapeutics, Inc. (US) 2019-09-25 — — EP disclosed
WO-2018093947-A1 MAGL INHIBITORS ABIDE THERAPEUTICS, INC. (US) 2018-05-24 — — WO disclosed
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