SCHEMBL24438871

SCHEMBL24438871

O=c1[nH]c(=O)c2cc3c(=O)n(C(CO)CO)c(=O)c3cc12

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
SRC P12931 1/20 0.32
GRIA1 P42261 1/20 0.31
GRIA2 P42262 1/20 0.31
GRIA3 P42263 1/20 0.31
GRIA4 P48058 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 0.88 ALDH1A1 (0.38) ALDH1A1
SCHEMBL24439293 0.79 ALDH1A1 (0.36) ALDH1A1SRC
SCHEMBL29674663 0.77 SRC (0.30) SRC
SCHEMBL24438854 0.77 KCNA5 (0.38) ALDH1A1SRC
SCHEMBL29674713 0.77 KCNA5 (0.38) ALDH1A1SRC
SCHEMBL29604216 0.77 ALDH1A1 (0.50) ALDH1A1SRC
SCHEMBL29674685 0.75 L3MBTL1 (0.38) ALDH1A1
SCHEMBL24439076 0.75 L3MBTL1 (0.38) ALDH1A1
SCHEMBL24438676 0.75 ALDH1A1 (0.38) ALDH1A1SRCGRIA1GRIA2GRIA3
SCHEMBL29674778 0.75 ALDH1A1 (0.38) ALDH1A1SRCGRIA1GRIA2GRIA3

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