SCHEMBL11276228

SCHEMBL11276228

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

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 18/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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) P2RX3L3MBTL1
SCHEMBL11265440 0.91 ALDH1A1 (0.33) L3MBTL1
SCHEMBL11272045 0.87 P2RX3 (0.33) P2RX3L3MBTL1
SCHEMBL11267736 0.86 SCN9A (0.33) P2RX3L3MBTL1MEN1KMT2A
SCHEMBL11275383 0.85 P2RX3 (0.34) P2RX3
SCHEMBL11273038 0.85 L3MBTL1 (0.33) L3MBTL1
SCHEMBL11275388 0.85 P2RX3 (0.32) P2RX3L3MBTL1
SCHEMBL11277961 0.85 ALDH1A1 (0.38) L3MBTL1
SCHEMBL11280511 0.83 ADAMTS4 (0.34) P2RX3L3MBTL1MEN1KMT2A
SCHEMBL11274589 0.83 P2RX3 (0.33) P2RX3L3MBTL1MEN1KMT2A

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