SCHEMBL11114767

SCHEMBL11114767

O=C(O)C=C1c2ccccc2C=Cc2ccc(F)cc21

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.46
PPARG P37231 3/20 0.36
RXRA P19793 1/20 0.36
FLT3 P36888 3/20 0.35
KCNN4 O15554 1/20 0.33
MAPT P10636 1/20 0.33
GPR3 P46089 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 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
SCHEMBL11116282 1.00 TRPA1 (0.46) TRPA1PPARGRXRAFLT3KCNN4
SCHEMBL29454416 0.85 MEN1 (0.42) TRPA1MAPTKDM4EMEN1KMT2A
SCHEMBL677773 0.85 MEN1 (0.42) TRPA1MAPTKDM4EMEN1KMT2A
SCHEMBL8133549 0.83 TRPA1 (0.40) TRPA1PPARGRXRAMAPTKDM4E
SCHEMBL8133547 0.83 TRPA1 (0.40) TRPA1PPARGRXRAMAPTKDM4E
SCHEMBL11115877 0.82 S100A4 (0.38)
SCHEMBL11115874 0.82 S100A4 (0.38)
SCHEMBL11118131 0.82 S100A4 (0.38)
SCHEMBL8142361 0.80 TRPA1 (0.40) TRPA1PPARGRXRA
SCHEMBL8142363 0.80 TRPA1 (0.40) TRPA1PPARGRXRA

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