SCHEMBL11267772

SCHEMBL11267772

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

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 12/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SCN9A Q15858 2/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL11265443 0.93 L3MBTL1 (0.31) L3MBTL1
SCHEMBL11274589 0.93 P2RX3 (0.33) P2RX3MEN1KMT2ASCN9AL3MBTL1
SCHEMBL11274546 0.92 MEN1 (0.33) MEN1KMT2ASCN9A
SCHEMBL11271561 0.91 ADAMTS4 (0.33)
SCHEMBL11272045 0.91 P2RX3 (0.33) P2RX3L3MBTL1
SCHEMBL11281566 0.89 P2RX3 (0.33) P2RX3MEN1KMT2A
SCHEMBL11281589 0.85 L3MBTL1 (0.32) L3MBTL1
SCHEMBL11277496 0.84 MEN1 (0.34) MEN1KMT2ASCN9A
SCHEMBL11270316 0.84 ADAMTS4 (0.34)
SCHEMBL11264917 0.83 ALDH1A1 (0.37) L3MBTL1

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