SCHEMBL22360771

SCHEMBL22360771

CC(C)OCCOCCOCCOCc1cn(CCC(=O)C(C)C)nn1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 9/20 0.46
MMP2 P08253 7/20 0.42
MMP9 P14780 7/20 0.42
MMP8 P22894 7/20 0.42
MMP13 P45452 7/20 0.42
ABCC1 P33527 2/20 0.37
ABCG2 Q9UNQ0 2/20 0.37
ABCB1 P08183 1/20 0.37
FFAR1 O14842 1/20 0.36
HSP90AB1 P08238 1/20 0.36

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
SCHEMBL22473788 0.92 DGAT1 (0.51) DGAT1MMP2MMP9MMP8MMP13
SCHEMBL22473766 0.91 DGAT1 (0.50) DGAT1MMP2MMP9MMP8MMP13
SCHEMBL22473628 0.91 DGAT1 (0.50) DGAT1MMP2MMP9MMP8MMP13
SCHEMBL18751726 0.86 DGAT1 (0.48) DGAT1MMP2MMP9MMP8MMP13
SCHEMBL18751731 0.83 DGAT1 (0.53) DGAT1MMP2MMP9MMP8MMP13
SCHEMBL22473778 0.82 DGAT1 (0.60) DGAT1MMP2MMP9MMP8MMP13
SCHEMBL22473625 0.81 DGAT1 (0.59) DGAT1MMP2MMP9MMP8MMP13
SCHEMBL22473667 0.81 DGAT1 (0.49) DGAT1MMP2MMP9MMP8MMP13
SCHEMBL21100148 0.81 DGAT1 (0.44) DGAT1MMP2MMP9MMP8MMP13
SCHEMBL19704939 0.81 DGAT1 (0.44) DGAT1MMP2MMP9MMP8MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020168172-A1 CONJUGATE COMPOUNDS FOR THE DEGRADATION OF RAF ZAMBONI CHEM SOLUTIONS INC. (CA) 2020-08-20 WO disclosed