SCHEMBL9406809

SCHEMBL9406809

CCCCC1COC(c2cc(F)c(C#N)c(F)c2)OC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.33
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL9859942 1.00 TRPV4 (0.33) TRPV4CYP11B1CYP11B2
SCHEMBL9406851 0.96 ALDH1A1 (0.33) TRPV4
SCHEMBL9406856 0.96 ALDH1A1 (0.33) TRPV4
SCHEMBL9406965 0.95 CYP1A2 (0.31) TRPV4
SCHEMBL9406969 0.95 CYP1A2 (0.31) TRPV4
SCHEMBL9406982 0.95 ALDH1A1 (0.35) TRPV4
SCHEMBL9406958 0.95 ALDH1A1 (0.35) TRPV4
SCHEMBL9406953 0.95 ALDH1A1 (0.35) TRPV4
SCHEMBL9406937 0.95 ALDH1A1 (0.35) TRPV4
SCHEMBL9859076 0.95 ALDH1A1 (0.35) TRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5354502-A Very large dielectric anisotropy and small birefringence SEIKO EPSON CORPORATION (JP) 1994-10-11 US disclosed
EP-0447565-A1 1,3-DIOXANE DERIVATIVE AND LIQUID-CRYSTAL COMPOSITION CONTAINING THE SAME SEIKO EPSON CORPORATION (JP) 1991-09-25 EP disclosed
EP-0090183-B1 POLYHALOGENATED AROMATIC COMPOUNDS MERCK PATENT GmbH (DE) 1986-02-19 EP disclosed
US-4551264-A Polyhalogenoaromatic compounds for liquid crystal compositions MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1985-11-05 US disclosed
EP-0090183-A1 Polyhalogenated aromatic compounds MERCK PATENT GmbH (DE) 1983-10-05 EP disclosed