SCHEMBL29674685

SCHEMBL29674685

COC(=O)C(CO)n1c(=O)c2cc3c(=O)[nH]c(=O)c3cc2c1=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 5/20 0.36
PTGS2 P35354 3/20 0.36
JAK2 O60674 3/20 0.33
JAK1 P23458 3/20 0.33
TYK2 P29597 3/20 0.33
JAK3 P52333 3/20 0.33
GAA P10253 2/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
PARP1 P09874 2/20 0.31
PARP3 Q9Y6F1 1/20 0.31
PKM P14618 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
SCHEMBL24439076 1.00 L3MBTL1 (0.38) L3MBTL1ALDH1A1PTGS2JAK2JAK1
SCHEMBL19423831 0.91 L3MBTL1 (0.42) L3MBTL1ALDH1A1PTGS2JAK2JAK1
SCHEMBL29674676 0.84 ALDH1A1 (0.42) L3MBTL1ALDH1A1PTGS2JAK2JAK1
SCHEMBL24439060 0.84 ALDH1A1 (0.42) L3MBTL1ALDH1A1PTGS2JAK2JAK1
SCHEMBL24438871 0.75 ALDH1A1 (0.39) ALDH1A1
SCHEMBL31160951 0.73 GCK (0.49) L3MBTL1ALDH1A1PTGS2GAA
SCHEMBL24440520 0.72 MME (0.36) L3MBTL1ALDH1A1GAAPOLBNPSR1
SCHEMBL29603887 0.70 L3MBTL1 (0.39) L3MBTL1ALDH1A1PTGS2GAAPOLB
SCHEMBL24438895 0.70 ALDH1A1 (0.54) ALDH1A1JAK2JAK1TYK2JAK3
SCHEMBL19423834 0.69 KIF11 (0.43) L3MBTL1ALDH1A1TP53MAPT

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