SCHEMBL11274809

SCHEMBL11274809

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

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.38
P2RX3 P56373 13/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PPARG P37231 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) SCN9AP2RX3MEN1KMT2APPARG
SCHEMBL11284538 0.91 P2RX3 (0.35) P2RX3MEN1KMT2A
SCHEMBL11272947 0.89 P2RX3 (0.35) P2RX3
SCHEMBL11267887 0.84 SCN9A (0.38) SCN9AP2RX3MEN1KMT2APPARG
SCHEMBL11269685 0.84 P2RX3 (0.42) P2RX3MEN1KMT2A
SCHEMBL11276415 0.83 CARM1 (0.35) MEN1KMT2A
SCHEMBL11267837 0.83 SCN9A (0.37) SCN9AP2RX3MEN1KMT2APPARG
SCHEMBL11271875 0.82 SCN9A (0.37) SCN9AP2RX3MEN1KMT2APPARG
SCHEMBL11118998 0.81 SCN9A (0.43) SCN9AP2RX3MEN1KMT2APPARG
SCHEMBL11276179 0.80 ESR1 (0.34) SCN9AMEN1KMT2APPARG

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