SCHEMBL11275829

SCHEMBL11275829

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

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 3/20 0.33
PPARG P37231 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SCN9A Q15858 4/20 0.31
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL11275383 0.92 P2RX3 (0.34) P2RX3
SCHEMBL11270904 0.92 ADAMTS4 (0.33) P2RX3MEN1KMT2AALDH1A1TDP1
SCHEMBL11279077 0.92 ALDH1A1 (0.36) PPARGMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL11281447 0.91 MEN1 (0.32) P2RX3PPARGMEN1KMT2ASCN9A
SCHEMBL11267736 0.91 SCN9A (0.33) P2RX3PPARGMEN1KMT2ANPSR1
SCHEMBL11283820 0.90 SCN9A (0.32) P2RX3PPARGMEN1KMT2ANPSR1
SCHEMBL11274600 0.85 CARM1 (0.31)
SCHEMBL11280511 0.85 ADAMTS4 (0.34) P2RX3MEN1KMT2ANPSR1L3MBTL1
SCHEMBL11277779 0.83 ADAMTS4 (0.33)
SCHEMBL11281566 0.83 P2RX3 (0.33) P2RX3MEN1KMT2A

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