SCHEMBL29484698

SCHEMBL29484698

C=CCOC(=O)NC1(C(=O)O)CCC2C(C(=O)O)C21

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.39
GRM3 Q14832 4/20 0.39
GRM8 O00222 1/20 0.39
GRM6 O15303 1/20 0.39
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
CASP1 P29466 1/20 0.31
KCNA3 P22001 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
SCHEMBL5841850 1.00 GRM2 (0.39) GRM2GRM3GRM8GRM6SLC1A2
SCHEMBL6527774 0.91 GRM2 (0.35) GRM2GRM3GRM8GRM6CASP1
SCHEMBL5841128 0.91 GRM2 (0.35) GRM2GRM3GRM8GRM6CASP1
SCHEMBL5840380 0.91 GRM2 (0.35) GRM2GRM3GRM8GRM6CASP1
SCHEMBL6526776 0.91 GRM2 (0.35) GRM2GRM3GRM8GRM6CASP1
SCHEMBL5847018 0.81 ALDH1A1 (0.38) CASP1KCNA3
SCHEMBL5842175 0.81 ALDH1A1 (0.38) CASP1KCNA3
SCHEMBL5842801 0.80 GRM2 (0.36) GRM2GRM3
SCHEMBL5841180 0.80 GRM2 (0.36) GRM2GRM3
SCHEMBL5841443 0.79 GRM2 (0.37) GRM2GRM3

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
CN-109071418-B Prodrugs of amino acid derivatives 大正制药株式会社 2022-03-18 CN disclosed