SCHEMBL19967916

SCHEMBL19967916

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
ALDH1A1 P00352 6/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
MGLL Q99685 2/20 0.46
GAA P10253 4/20 0.45
ITGA4 P13612 1/20 0.43
ITGB7 P26010 1/20 0.43
BCL9 O00512 1/20 0.42
CTNNB1 P35222 1/20 0.42
ADRB2 P07550 2/20 0.41
ADRB1 P08588 2/20 0.41
ADRB3 P13945 2/20 0.41
HTR2A P28223 1/20 0.41
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL28776874 1.00 MAPT (0.48) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2158928 0.92 MAPT (0.53) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL12396358 0.92 MAPT (0.53) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL28744810 0.88 PPARG (0.52) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL28252736 0.88 MAPT (0.49) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL28744809 0.88 PPARG (0.52) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL13574956 0.88 MGLL (0.51) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL28252735 0.88 MAPT (0.49) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6624647 0.86 MAPT (0.59) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL19969280 0.86 PPARG (0.48) MAPTALDH1A1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108794422-B Heterocyclic compounds as PD-L1 inhibitors 南京圣和药业股份有限公司 2022-07-01 CN disclosed
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
WO-2018047143-A1 VISTA SIGNALING PATHWAY INHIBITORY COMPOUNDS USEFUL AS IMMUNOMODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-03-15 WO disclosed