SCHEMBL11272045

SCHEMBL11272045

CC(C)C(C=C(Cl)Cl)C(C(=O)OC(C#N)c1cccc(Oc2ccc(Cl)cc2)n1)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 18/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL11264917 0.93 ALDH1A1 (0.37) L3MBTL1ALDH1A1TDP1
SCHEMBL11279263 0.93 P2RX3 (0.33) P2RX3L3MBTL1ALDH1A1TDP1
SCHEMBL11283820 0.92 SCN9A (0.32) P2RX3ALDH1A1TDP1
SCHEMBL11279224 0.91 ADAMTS4 (0.33) P2RX3ALDH1A1TDP1
SCHEMBL11267772 0.91 P2RX3 (0.32) P2RX3L3MBTL1
SCHEMBL11275383 0.89 P2RX3 (0.34) P2RX3
SCHEMBL11274367 0.89 ALDH1A1 (0.34) L3MBTL1ALDH1A1TDP1
SCHEMBL11276228 0.87 P2RX3 (0.34) P2RX3L3MBTL1
SCHEMBL11275388 0.85 P2RX3 (0.32) P2RX3L3MBTL1ALDH1A1TDP1
SCHEMBL11273038 0.85 L3MBTL1 (0.33) 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