SCHEMBL11270607

SCHEMBL11270607

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

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.38
PPARG P37231 1/20 0.35
P2RX3 P56373 8/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL11274809 0.91 SCN9A (0.38) SCN9APPARGP2RX3MEN1KMT2A
SCHEMBL11269685 0.91 P2RX3 (0.42) P2RX3MEN1KMT2A
SCHEMBL11118998 0.81 SCN9A (0.43) SCN9APPARGP2RX3MEN1KMT2A
SCHEMBL11284538 0.81 P2RX3 (0.35) P2RX3MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL11272947 0.80 P2RX3 (0.35) P2RX3ALDH1A1
SCHEMBL11267887 0.79 SCN9A (0.38) SCN9APPARGP2RX3MEN1KMT2A
SCHEMBL11069086 0.79 SCN9A (0.40) SCN9APPARGP2RX3MEN1KMT2A
SCHEMBL11279118 0.79 SCN9A (0.33) SCN9APPARGP2RX3MEN1KMT2A
SCHEMBL11275922 0.79 SCN9A (0.32) SCN9APPARGP2RX3MEN1KMT2A
SCHEMBL11395106 0.78 MAPT (0.39) SCN9APPARGP2RX3MEN1KMT2A

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