SCHEMBL20166773

SCHEMBL20166773

CCOC(=O)OC(C)OC(=O)CCCN(Cc1ccccc1)c1cc(C(F)(F)F)ccc1CN1CCN(C(=O)O)CC1C(C(F)(F)F)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 11/20 0.46
CETP P11597 1/20 0.33
UBE2M P61081 6/20 0.32
DCUN1D1 Q96GG9 6/20 0.32
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PLA2G7 Q13093 1/20 0.30
ABHD6 Q9BV23 1/20 0.30
TACR1 P25103 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 0.94 MGLL (0.44) MGLLUBE2MDCUN1D1PLA2G7ABHD6
SCHEMBL20168756 0.86 MGLL (0.43) MGLLCETPUBE2MDCUN1D1PLA2G7
SCHEMBL20137052 0.83 MGLL (0.67) MGLLPLA2G7ABHD6
SCHEMBL20168517 0.82 MGLL (0.68) MGLLPLA2G7ABHD6
SCHEMBL20166173 0.81 MGLL (0.39) MGLL
SCHEMBL20151845 0.76 MGLL (0.59) MGLLPLA2G7ABHD6
SCHEMBL20137060 0.76 MGLL (0.41) MGLLCETPALDH1A1
SCHEMBL29561179 0.76 MGLL (0.65) MGLLPLA2G7ABHD6
SCHEMBL20137074 0.76 MGLL (0.65) MGLLPLA2G7ABHD6
SCHEMBL20167994 0.75 MGLL (0.66) 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