SCHEMBL30141457

SCHEMBL30141457

CC(C)(C)OC(=O)c1c(C(=O)O)ccc(C(=O)O)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM6 O15303 1/20 0.44
G6PD P11413 1/20 0.38
CASP7 P55210 1/20 0.38
CASP6 P55212 1/20 0.38
ALDH1A1 P00352 7/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36

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
SCHEMBL29510775 1.00 GRM6 (0.44) GRM6G6PDCASP7CASP6ALDH1A1
SCHEMBL3256091 0.95 GRM6 (0.43) GRM6G6PDCASP7CASP6ALDH1A1
SCHEMBL16115645 0.89 CASP7 (0.42) GRM6G6PDCASP7CASP6ALDH1A1
SCHEMBL8651108 0.88 GRM6 (0.40) GRM6G6PDCASP7CASP6ALDH1A1
SCHEMBL7071952 0.87 GRM6 (0.41) GRM6G6PDCASP7CASP6ALDH1A1
SCHEMBL16115116 0.85 CFD (0.45) GRM6ALDH1A1KDM4EMAPTGAA
SCHEMBL16114360 0.82 MMP2 (0.42) GRM6CASP6ALDH1A1CA12CA1
SCHEMBL28002667 0.81 GRM6 (0.43) GRM6G6PDCASP7CASP6ALDH1A1
SCHEMBL27681873 0.81 CASP7 (0.41) GRM6G6PDCASP7CASP6ALDH1A1
SCHEMBL27668933 0.81 GRM6 (0.41) GRM6CASP7CASP6ALDH1A1CA12

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-111359671-B Preparation method of palladium-loaded or platinum-loaded zirconium-based microporous coordination polymer composite material 长春工业大学 2023-01-24 CN disclosed