SCHEMBL11113798

SCHEMBL11113798

O=C(O)C=C1c2ccccc2C=C(Cl)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.35
CDC25A P30304 9/20 0.33

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
SCHEMBL11117326 0.80 PTPRC (0.38) TRPA1CDC25A
SCHEMBL11117327 0.80 PTPRC (0.38) TRPA1CDC25A
SCHEMBL677773 0.78 MEN1 (0.42) TRPA1CDC25A
SCHEMBL29454416 0.78 MEN1 (0.42) TRPA1CDC25A
SCHEMBL130160 0.78 TRPA1 (0.44) TRPA1CDC25A
SCHEMBL11115874 0.73 S100A4 (0.38)
SCHEMBL11115316 0.73 HSD17B3 (0.38)
SCHEMBL11115938 0.73 HSD17B3 (0.38)
SCHEMBL11115877 0.73 S100A4 (0.38)
SCHEMBL11118131 0.73 S100A4 (0.38)

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
EP-0115690-A1 Dibenzocycloheptenylidenes AMERICAN HOME PRODUCTS CORPORATION (US) 1984-08-15 EP disclosed