SCHEMBL9561884

SCHEMBL9561884

CC(C)C[C@H](N)C(=O)OC1CCCC(C)(C(C)C)C1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.34
DPP4 P27487 3/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
PEPD P12955 1/20 0.32
ST6GAL1 P15907 1/20 0.31
MMP2 P08253 2/20 0.31
MMP9 P14780 2/20 0.31
ANPEP P15144 2/20 0.31
LTA4H P09960 1/20 0.31
LAP3 P28838 1/20 0.31
NPEPPS P55786 1/20 0.31
ERAP2 Q6P179 1/20 0.31
ERAP1 Q9NZ08 1/20 0.31
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30

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
SCHEMBL9076800 0.87 ST6GAL1 (0.31) ST6GAL1
SCHEMBL10448819 0.86 CYP19A1 (0.32) DPP4DPP8DPP9DPP7
SCHEMBL9561872 0.86 CYP19A1 (0.32) DPP4DPP8DPP9DPP7
Hydrochloric Acid SCHEMBL9283674 0.85 CYP19A1 (0.31) DPP4DPP8DPP9DPP7
SCHEMBL9077114 0.84 ALDH1A1 (0.34) ST6GAL1GRIN1GRIN2B
SCHEMBL9561824 0.83 DPP4 (0.32) DPP4DPP8DPP9DPP7
SCHEMBL9561902 0.83 DPP4 (0.32) DPP4DPP8DPP9DPP7
SCHEMBL614025 0.81 CYP19A1 (0.33)
SCHEMBL11117872 0.81 TYR (0.48) SLC7A5DPP4DPP8DPP9DPP7
SCHEMBL10401813 0.80

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
US-5274167-A A N-(meth)acryloyl amino acid amide BAYER AKTIENGESELLSCHAFT (DE) 1993-12-28 US disclosed