SCHEMBL11275388

SCHEMBL11275388

Cc1ccc(Oc2cccc(C(C#N)OC(=O)C(C(C)C)C(C)C=C(Cl)Cl)n2)cc1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 16/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ADAMTS4 O75173 1/20 0.31
PPARG P37231 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL11279263 0.93 P2RX3 (0.33) P2RX3ALDH1A1TDP1L3MBTL1
SCHEMBL11273038 0.93 L3MBTL1 (0.33) ALDH1A1TDP1L3MBTL1
SCHEMBL11277961 0.92 ALDH1A1 (0.38) ALDH1A1TDP1ADAMTS4PPARGL3MBTL1
SCHEMBL11267736 0.92 SCN9A (0.33) P2RX3ALDH1A1TDP1PPARGL3MBTL1
SCHEMBL11280511 0.91 ADAMTS4 (0.34) P2RX3ALDH1A1TDP1ADAMTS4L3MBTL1
SCHEMBL11281824 0.90 MAPT (0.33) ALDH1A1TDP1
SCHEMBL11281400 0.88 CHRNB2 (0.33) ADAMTS4
SCHEMBL11272045 0.85 P2RX3 (0.33) P2RX3ALDH1A1TDP1L3MBTL1
SCHEMBL11264917 0.85 ALDH1A1 (0.37) ALDH1A1TDP1PPARGL3MBTL1
SCHEMBL11276228 0.85 P2RX3 (0.34) P2RX3L3MBTL1

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