SCHEMBL8745155

SCHEMBL8745155

CCCC1CCC(CCC=Cc2cc(F)c(F)c(F)c2)CC1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.34
TUBB1 Q9H4B7 2/20 0.33
FYN P06241 1/20 0.33
CYP2C9 P11712 1/20 0.30

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
SCHEMBL8745214 0.96 TLR4 (0.32) TRPA1TUBB1FYN
SCHEMBL8745643 0.91 TRPA1 (0.34) TRPA1TUBB1
SCHEMBL8745171 0.90 PKM (0.32) TRPA1TUBB1CYP2C9
SCHEMBL8745288 0.87 TRPA1 (0.32) TRPA1TUBB1
SCHEMBL8745188 0.86 PKM (0.30) TRPA1
SCHEMBL8745628 0.85 NFE2L2 (0.41) TRPA1FYNCYP2C9
SCHEMBL7911274 0.82 TLR4 (0.33) FYN
SCHEMBL7911280 0.82 TLR4 (0.33) FYN
SCHEMBL7911283 0.82 TLR4 (0.33) FYN
SCHEMBL7911272 0.82 TLR4 (0.33) FYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0563981-B1 Cis-1,4-substituted 2-butene derivative CHISSO CORP (JP) 1997-01-22 EP disclosed
US-5401434-A Cis-1,4-substituted 2-butene derivative CHISSO CORPORATION (JP) 1995-03-28 US disclosed
EP-0563981-A2 Cis-1,4-substituted 2-butene derivative Chisso Corporation (JP) 1993-10-06 EP disclosed