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SCHEMBL8745240

SCHEMBL8745240

CCC1CCC(C2CCC(CCC=Cc3ccc(OC(F)(F)F)c(F)c3)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 8/20 0.35
▸ TUBB1 Q9H4B7 4/20 0.34
▸ PDE2A O00408 2/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ APP P05067 1/20 0.32
▸ HPGD P15428 1/20 0.31
▸ FFAR4 Q5NUL3 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
SCHEMBL8745389 0.93 EPHX2 (0.35) EPHX2TUBB1PDE2ACHRM2APP
SCHEMBL9139977 0.90 EPHX2 (0.34) EPHX2TUBB1PDE2ACHRM2APP
SCHEMBL8745224 0.85 NFE2L2 (0.39) —
SCHEMBL9139133 0.82 GRIK1 (0.37) EPHX2
SCHEMBL8745206 0.81 KDM1A (0.36) —
SCHEMBL8745250 0.81 NFE2L2 (0.41) TUBB1
SCHEMBL8745288 0.80 TRPA1 (0.32) TUBB1
SCHEMBL8745308 0.79 AR (0.32) —
SCHEMBL8745294 0.78 GRIK1 (0.39) —
SCHEMBL8745245 0.78 SLC6A4 (0.35) —

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