SCHEMBL24439293

SCHEMBL24439293

O=c1c2cc3c(=O)n(C(CO)CO)c(=O)c3cc2c(=O)n1CO

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
GAA P10253 2/20 0.34
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SRC P12931 1/20 0.33
TSHR P16473 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 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
SCHEMBL24440488 0.90 ALDH1A1 (0.38) ALDH1A1GAAPOLBNPSR1
SCHEMBL11267535 0.83 ALDH1A1 (0.46) ALDH1A1GAAPOLBNPSR1SRC
SCHEMBL24438871 0.79 ALDH1A1 (0.39) ALDH1A1SRC
SCHEMBL29674604 0.79 KCNA5 (0.38) ALDH1A1GAAPOLBNPSR1SRC
SCHEMBL24439251 0.79 KCNA5 (0.38) ALDH1A1GAAPOLBNPSR1SRC
SCHEMBL29604216 0.78 ALDH1A1 (0.50) ALDH1A1GAAPOLBNPSR1SRC
SCHEMBL24439236 0.76 ALDH1A1 (0.32) ALDH1A1GAAPOLBNPSR1SRC
SCHEMBL18347379 0.76 ALDH1A1 (0.36) ALDH1A1GAATSHRSMN1; SMN2HSD17B10
SCHEMBL29674676 0.74 ALDH1A1 (0.42) ALDH1A1GAAPOLBNPSR1L3MBTL1
SCHEMBL12421806 0.74 ALDH1A1 (0.39) ALDH1A1GAAPOLBNPSR1SRC

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
WO-2022103280-A1 METHANOGEN INHIBITORS PASTORAL GREENHOUSE GAS RESEARCH LTD (NZ) 2022-05-19 WO disclosed
WO-2022103280-A1 METHANOGEN INHIBITORS PASTORAL GREENHOUSE GAS RESEARCH LTD (NZ) 2022-05-19 WO disclosed