SCHEMBL7030180

SCHEMBL7030180

CCC1CCC(C2CCC(c3cc(F)c(CCCO)c(F)c3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.34
ESR2 Q92731 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
SCHEMBL7030372 0.92 TRPV3 (0.33) TRPV3ESR2
SCHEMBL7033016 0.90 CYP2C9 (0.39) ESR2
SCHEMBL7028970 0.88 ESR2 (0.35) ESR2
SCHEMBL7027517 0.87 ESR2 (0.34) ESR2
SCHEMBL7028527 0.84
SCHEMBL7032793 0.83 ESR2 (0.39) TRPV3ESR2
SCHEMBL7028218 0.83 CA2 (0.39) TRPV3ESR2
SCHEMBL7033090 0.83 ESR2 (0.38) TRPV3ESR2
SCHEMBL7032816 0.82 ESR2 (0.35) ESR2
SCHEMBL7030314 0.81 CYP2C9 (0.41) ESR2

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-0754668-B1 Fluorobenzylether derivatives ROLIC AG (CH) 2003-02-05 EP disclosed
EP-0754668-A2 Fluorobenzylether derivatives Rolic AG (CH) 1997-01-22 EP disclosed