SCHEMBL27708356

SCHEMBL27708356

C[N+](C)(C)c1cccc2c1OC(C=O)CC2

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
CHRM2 P08172 4/20 0.33
CHRM1 P11229 4/20 0.33
CHRM3 P20309 4/20 0.33

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
SCHEMBL15882382 0.78 L3MBTL1 (0.43) L3MBTL1TDP1
SCHEMBL781788 0.70 CA2 (0.48)
SCHEMBL29398221 0.70 CA2 (0.48)
SCHEMBL4830484 0.70 CA2 (0.48)
SCHEMBL15219655 0.70 CA2 (0.48)
SCHEMBL29386661 0.70 CA2 (0.48)
SCHEMBL5723418 0.70 L3MBTL1 (0.39) L3MBTL1TDP1
SCHEMBL10733681 0.70 NFKB1 (0.52)
Fluoride SCHEMBL27841384 0.69 CA2 (0.47)
SCHEMBL10509049 0.69 L3MBTL1 (0.35) L3MBTL1TDP1CHRM2CHRM1CHRM3

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
CN-101115734-A Spiro derivatives as lipoxygenase inhibitors LILLY CO ELI (US) 2008-01-30 CN disclosed