SCHEMBL29603887

SCHEMBL29603887

COC(=O)C(CO[N+](=O)[O-])n1c(=O)c2cc3c(=O)n(C(CO[N+](=O)[O-])C(=O)OC)c(=O)c3cc2c1=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 5/20 0.34
PTGS2 P35354 4/20 0.34
GAA P10253 2/20 0.33
PTGS1 P23219 2/20 0.32
CYP2C19 P33261 1/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TNF P01375 1/20 0.32

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
SCHEMBL29674746 0.93 L3MBTL1 (0.35) L3MBTL1TP53MAPTALDH1A1PTGS2
SCHEMBL29603429 0.79 ALDH1A1 (0.38) MAPTALDH1A1PTGS2PTGS1TNF
SCHEMBL29603530 0.79 ALDH1A1 (0.38) MAPTALDH1A1PTGS2PTGS1TNF
SCHEMBL29604663 0.79 ALDH1A1 (0.38) MAPTALDH1A1PTGS2PTGS1TNF
SCHEMBL19423831 0.77 L3MBTL1 (0.42) L3MBTL1TP53MAPTALDH1A1PTGS2
SCHEMBL24440341 0.76 ALDH1A1 (0.31) MAPTALDH1A1
SCHEMBL29603956 0.74 ALDH1A1 (0.33) MAPTALDH1A1
SCHEMBL29674676 0.71 ALDH1A1 (0.42) L3MBTL1TP53MAPTALDH1A1PTGS2
SCHEMBL24439060 0.71 ALDH1A1 (0.42) L3MBTL1TP53MAPTALDH1A1PTGS2
SCHEMBL24439076 0.70 L3MBTL1 (0.38) L3MBTL1TP53MAPTALDH1A1PTGS2

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-2022103281-A1 METHANOGEN INHIBITORS PASTORAL GREENHOUSE GAS RESEARCH LTD (NZ) 2022-05-19 WO disclosed