SCHEMBL11401866

SCHEMBL11401866

CCc1cc(CC)c([C]=O)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.38
▸ GRIN2D O15399 2/20 0.35
▸ GRIN3B O60391 2/20 0.35
▸ GRIN1 Q05586 2/20 0.35
▸ GRIN2A Q12879 2/20 0.35
▸ GRIN2B Q13224 2/20 0.35
▸ GRIN2C Q14957 2/20 0.35
▸ GRIN3A Q8TCU5 2/20 0.35
▸ PARP1 P09874 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ KMT2A Q03164 1/20 0.30
▸ RXFP1 Q9HBX9 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
SCHEMBL891021 0.70 DAO (0.41) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5358324 0.65 DAO (0.38) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6900668 0.65 DAO (0.38) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11051645 0.64 ALDH1A1 (0.59) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9134716 0.64 DAO (0.44) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL23847374 0.64 DAO (0.36) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2574210 0.64 DAO (0.35) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11400539 0.62 — —
SCHEMBL28377995 0.61 PARP1 (0.44) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11400413 0.61 GRIN2D (0.35) DAOGRIN2DGRIN3BGRIN1GRIN2A

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
EP-0032048-A1 Pyrroloylpyrrole derivatives, processes for their preparation and their use BEECHAM GROUP PLC (GB) 1981-07-15 — — EP claimed
EP-0032048-A1 Pyrroloylpyrrole derivatives, processes for their preparation and their use BEECHAM GROUP PLC (GB) 1981-07-15 — — EP disclosed
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