SCHEMBL20168756

SCHEMBL20168756

CC(C)(C)C(=O)OCOC(=O)CCCN(Cc1ccccc1)c1cc(C(F)(F)F)ccc1CN1CCN(C(=O)O)CC1C(C(F)(F)F)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 11/20 0.43
PLA2G7 Q13093 2/20 0.31
ABHD6 Q9BV23 2/20 0.31
UBE2M P61081 3/20 0.30
DCUN1D1 Q96GG9 3/20 0.30
SIGMAR1 Q99720 1/20 0.30
AR P10275 1/20 0.30
CETP P11597 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
SCHEMBL20168794 0.88 MGLL (0.44) MGLLPLA2G7ABHD6UBE2MDCUN1D1
SCHEMBL20166773 0.86 MGLL (0.46) MGLLPLA2G7ABHD6UBE2MDCUN1D1
SCHEMBL20166173 0.84 MGLL (0.39) MGLL
SCHEMBL20137013 0.82 MGLL (0.66) MGLLPLA2G7ABHD6
SCHEMBL20168607 0.81 MGLL (0.65) MGLLPLA2G7ABHD6
SCHEMBL20168793 0.78 MEN1 (0.34) MGLLCETP
SCHEMBL20137009 0.74 MGLL (0.36) MGLLSIGMAR1CETP
SCHEMBL20151847 0.74 MGLL (0.57) MGLLPLA2G7ABHD6
SCHEMBL20168055 0.72 MGLL (0.63) MGLL
SCHEMBL29561179 0.70 MGLL (0.65) MGLLPLA2G7ABHD6

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