SCHEMBL11273038

SCHEMBL11273038

COc1ccc(Oc2cccc(C(C#N)OC(=O)C(C(C)C)C(C)C=C(Cl)Cl)n2)cc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 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
SCHEMBL11275388 0.93 P2RX3 (0.32) L3MBTL1ALDH1A1TDP1
SCHEMBL11279263 0.93 P2RX3 (0.33) L3MBTL1ALDH1A1TDP1
SCHEMBL11277961 0.92 ALDH1A1 (0.38) L3MBTL1ALDH1A1TDP1
SCHEMBL11267736 0.92 SCN9A (0.33) L3MBTL1ALDH1A1TDP1
SCHEMBL11280511 0.91 ADAMTS4 (0.34) L3MBTL1ALDH1A1TDP1GAA
SCHEMBL11281824 0.90 MAPT (0.33) ALDH1A1TDP1
SCHEMBL11281400 0.88 CHRNB2 (0.33)
SCHEMBL11272045 0.85 P2RX3 (0.33) L3MBTL1ALDH1A1TDP1
SCHEMBL11276228 0.85 P2RX3 (0.34) L3MBTL1
SCHEMBL11264917 0.85 ALDH1A1 (0.37) L3MBTL1ALDH1A1TDP1

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
US-4338326-A PESTICIDES UNION CARBIDE CORPORATION (US) 1982-07-06 US disclosed