SCHEMBL29017706

SCHEMBL29017706

CC(C)(C)CCNC(C=O)CC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 7/20 0.35
CASP3 P42574 1/20 0.33
CTSK P43235 3/20 0.31
PGD P52209 1/20 0.31

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
SCHEMBL29017705 1.00 CASP1 (0.35) CASP1CASP3CTSKPGD
SCHEMBL8755007 0.75 GPR84 (0.42) CTSK
SCHEMBL13887636 0.75 MLYCD (0.34)
SCHEMBL7099887 0.74 GRN (0.39)
SCHEMBL5335559 0.74 GRN (0.39)
Hydrochloric Acid SCHEMBL7101089 0.73 GRN (0.38)
SCHEMBL15855458 0.72 CASP1 (0.35) CASP1CASP3
SCHEMBL7213444 0.71 CCKBR (0.34)
SCHEMBL19321955 0.71 CASP1 (0.38) CASP1CASP3
SCHEMBL27434427 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116268354-B Neotame peculiar smell modifier, atomized essence and aerosol generating device 深圳昱朋科技有限公司 2024-03-26 CN disclosed
CN-116268354-A Neotame peculiar smell modifier, atomized essence and aerosol generating device 深圳昱朋科技有限公司 2023-06-23 CN disclosed