SCHEMBL20775447

SCHEMBL20775447

CC(C)(C)OC(=O)C(N)(C(=O)O)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.36
BTK Q06187 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
GRM2 Q14416 1/20 0.32
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31

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
SCHEMBL30984403 1.00 DGAT1 (0.36) DGAT1BTKCHRM2CHRM1CHRM3
SCHEMBL26605075 0.91 DGAT1 (0.37) DGAT1BTKCHRM2CHRM1CHRM3
SCHEMBL1164689 0.82 ARG1 (0.41) DGAT1BTKCHRM2CHRM1CHRM3
SCHEMBL27963829 0.80 KCNN4 (0.31) DGAT1GRM2
SCHEMBL3746303 0.78 CHRM2 (0.57) CHRM2CHRM1CHRM3
SCHEMBL27566889 0.78 DGAT1 (0.40) DGAT1BTKCHRM2CHRM1CHRM3
SCHEMBL16372025 0.78 EPHX1 (0.34) DGAT1BTKGRM2CTSSCTSK
SCHEMBL6360021 0.78 DGAT1 (0.43) DGAT1
SCHEMBL6530783 0.78 DGAT1 (0.43) DGAT1CHRM2CHRM1CHRM3
SCHEMBL3366689 0.78 DGAT1 (0.43) DGAT1CHRM2CHRM1CHRM3

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-3679051-A1 PREPARATION AND USE OF REACTIVE OXYGEN SPECIES SCAVENGER XW Laboratories Inc. (KY) 2020-07-15 EP disclosed
WO-2019041361-A1 PREPARATION AND USE OF REACTIVE OXYGEN SPECIES SCAVENGER XW LABORATORIES, INC. (CN) 2019-03-07 WO disclosed