SCHEMBL11243557

SCHEMBL11243557

C#Cc1ccccc1O[CH]c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.32
NFE2L2 Q16236 1/20 0.32
FABP7 O15540 1/20 0.31
FABP3 P05413 1/20 0.31
FABP5 Q01469 1/20 0.31

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
SCHEMBL7179672 0.81 GAA (0.43)
SCHEMBL28539601 0.78 ADRA2B (0.33) FABP7FABP3FABP5
SCHEMBL27536496 0.76 FABP7 (0.33) FABP7FABP3FABP5
SCHEMBL3842879 0.72 POLB (0.39) FABP7FABP3FABP5
SCHEMBL5535600 0.69 SCN4A (0.42) TRPA1NFE2L2
SCHEMBL5547846 0.69 CA1 (0.56) TRPA1NFE2L2
SCHEMBL6001493 0.69 NFE2L2 (0.42) TRPA1NFE2L2
SCHEMBL2748004 0.69 GAA (0.47)
SCHEMBL236305 0.69 CA1 (0.55)
SCHEMBL29993703 0.69 CA1 (0.55)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4332815-A Insecticidal perhaloalkylvinylcyclopropanecarboxylates FMC CORPORATION (US) 1982-06-01 US claimed
US-4332815-A Insecticidal perhaloalkylvinylcyclopropanecarboxylates FMC CORPORATION (US) 1982-06-01 US disclosed