SCHEMBL19969280

SCHEMBL19969280

CC(C)(C)OC(=O)C[C@H](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
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
MGLL Q99685 2/20 0.46
MAPT P10636 6/20 0.46
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
BCL9 O00512 1/20 0.45
CTNNB1 P35222 1/20 0.45
GAA P10253 3/20 0.43
ITGA4 P13612 1/20 0.43
ITGB7 P26010 1/20 0.43
HTR2A P28223 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CACNA1B Q00975 1/20 0.39
ABCB1 P08183 1/20 0.39

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
SCHEMBL29401562 0.91 MAPT (0.52) PPARGPPARAMGLLMAPTALDH1A1
SCHEMBL29170202 0.89 PPARG (0.48) PPARGPPARAMGLLMAPTALDH1A1
SCHEMBL7903853 0.89 PPARG (0.48) PPARGPPARAMGLLMAPTALDH1A1
SCHEMBL28252735 0.88 MAPT (0.49) PPARGPPARAMGLLMAPTALDH1A1
SCHEMBL13574956 0.88 MGLL (0.51) PPARGPPARAMGLLMAPTALDH1A1
SCHEMBL28252736 0.88 MAPT (0.49) PPARGPPARAMGLLMAPTALDH1A1
SCHEMBL28776874 0.86 MAPT (0.48) PPARGPPARAMGLLMAPTALDH1A1
SCHEMBL19967916 0.86 MAPT (0.48) PPARGPPARAMGLLMAPTALDH1A1
SCHEMBL20631080 0.86 MAPT (0.59) PPARGPPARAMGLLMAPTALDH1A1
SCHEMBL6624647 0.86 MAPT (0.59) PPARGPPARAMGLLMAPTALDH1A1

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-2018047139-A1 COMPOUNDS AS MODULATORS OF TIGIT SIGNALLING PATHWAY AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-03-15 WO disclosed