SCHEMBL9752156

SCHEMBL9752156

CC(C)(C)OC(=O)OC(=O)[C@H](N)CCCCNC(=O)OCc1ccccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.54
NFE2L2 Q16236 3/20 0.54
MAPT P10636 3/20 0.44
DPP8 Q6V1X1 3/20 0.43
DPP7 Q9UHL4 3/20 0.43
ANPEP P15144 1/20 0.41
DPP4 P27487 2/20 0.40
DPP9 Q86TI2 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 2/20 0.40
GHSR Q92847 1/20 0.40
NPC1 O15118 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 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
SCHEMBL5204177 1.00 KEAP1 (0.54) KEAP1NFE2L2MAPTDPP8DPP7
SCHEMBL7197034 0.87 KEAP1 (0.40) KEAP1NFE2L2HPGDNPC1MEN1
SCHEMBL7343165 0.86 MAPT (0.58) MAPTDPP8DPP7ANPEPDPP4
SCHEMBL25003569 0.84 KEAP1 (0.56) KEAP1NFE2L2MAPTDPP8DPP7
SCHEMBL5612091 0.83 MAPT (0.54) KEAP1NFE2L2MAPTDPP8DPP7
SCHEMBL4413196 0.82 KEAP1 (0.58) KEAP1NFE2L2DPP8DPP7ANPEP
SCHEMBL30600458 0.82 KEAP1 (0.58) KEAP1NFE2L2DPP8DPP7ANPEP
SCHEMBL17073673 0.82 KEAP1 (0.58) KEAP1NFE2L2MAPTDPP8DPP7
SCHEMBL3925964 0.82 KEAP1 (0.58) KEAP1NFE2L2DPP8DPP7ANPEP
SCHEMBL9331674 0.82 KEAP1 (0.58) KEAP1NFE2L2DPP8DPP7ANPEP

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-1991000725-A2 AMINO ACID ANALOG CCK ANTAGONISTS ABBOTT LABORATORIES (US) 1991-01-24 WO disclosed