SCHEMBL28259366

SCHEMBL28259366

CC(C)(C)OC(=O)CCNC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.63
BCL9 O00512 1/20 0.52
CTNNB1 P35222 1/20 0.52
FAAH O00519 2/20 0.48
TRPV1 Q8NER1 1/20 0.48
MAPT P10636 5/20 0.45
GAA P10253 4/20 0.45
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.45
GLA P06280 1/20 0.45
HPGD P15428 1/20 0.45
HIF1A Q16665 1/20 0.45
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
PTGS2 P35354 1/20 0.41

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
SCHEMBL9228347 0.90 BCL9 (0.59) MGLLBCL9CTNNB1FAAHTRPV1
SCHEMBL14907652 0.88 MGLL (0.67) MGLLBCL9CTNNB1FAAHTRPV1
SCHEMBL11980594 0.88 MGLL (0.60) MGLLBCL9CTNNB1FAAHTRPV1
SCHEMBL14907653 0.86 MGLL (0.72) MGLLBCL9CTNNB1FAAHTRPV1
SCHEMBL1389312 0.85 MGLL (0.75) MGLLBCL9CTNNB1FAAHTRPV1
SCHEMBL18359784 0.85 MGLL (0.75) MGLLBCL9CTNNB1FAAHTRPV1
SCHEMBL12651647 0.84 MGLL (0.62) MGLLBCL9CTNNB1FAAHTRPV1
SCHEMBL27356591 0.84 MGLL (0.62) MGLLBCL9CTNNB1FAAHTRPV1
SCHEMBL260968 0.84 MGLL (0.68) MGLLBCL9CTNNB1FAAHTRPV1
SCHEMBL30685129 0.83 MGLL (0.60) MGLLBCL9CTNNB1FAAHTRPV1

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
CN-108863963-A Heterocycle compound as PD-L1 inhibitor 南京圣和药业股份有限公司 2018-11-23 CN disclosed