SCHEMBL11269685

SCHEMBL11269685

CC(C)C(CC=C(Br)Br)C(=O)OCc1cccc(Oc2ccc(Cl)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 18/20 0.42
MRGPRX4 Q96LA9 1/20 0.38
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL11270607 0.91 SCN9A (0.38) P2RX3MEN1KMT2A
SCHEMBL11274809 0.84 SCN9A (0.38) P2RX3MEN1KMT2A
SCHEMBL11284538 0.82 P2RX3 (0.35) P2RX3MEN1KMT2A
SCHEMBL11272947 0.81 P2RX3 (0.35) P2RX3MRGPRX4
SCHEMBL11477999 0.80 P2RX3 (0.45) P2RX3MRGPRX4MEN1KMT2A
SCHEMBL11279540 0.79 P2RX3 (0.43) P2RX3MRGPRX4
SCHEMBL11283946 0.79 P2RX3 (0.35) P2RX3MEN1KMT2A
SCHEMBL11266258 0.79 P2RX3 (0.35) P2RX3
SCHEMBL11270567 0.78 P2RX3 (0.42) P2RX3MRGPRX4
SCHEMBL11282335 0.77 P2RX3 (0.41) P2RX3MRGPRX4

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