SCHEMBL23847374

SCHEMBL23847374

CCCC(CCC)c1[nH]c(CC)cc1CC

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.36
▸ GRIN2D O15399 1/20 0.34
▸ GRIN3B O60391 1/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2A Q12879 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ GRIN2C Q14957 1/20 0.34
▸ GRIN3A Q8TCU5 1/20 0.34
▸ PARP1 P09874 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 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
SCHEMBL891021 0.69 DAO (0.41) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5358324 0.64 DAO (0.38) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11401866 0.64 DAO (0.38) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6900668 0.64 DAO (0.38) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9134716 0.62 DAO (0.44) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2574210 0.62 DAO (0.35) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19237422 0.62 — —
SCHEMBL28377995 0.60 PARP1 (0.44) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL14469275 0.60 DAO (0.33) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19013294 0.60 CYSLTR2 (0.47) MAPT

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-2021188450-A1 NLRP3 MODULATORS ZOMAGEN BIOSCIENCES LTD (US) 2021-09-23 — — WO disclosed
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