SCHEMBL9406947

SCHEMBL9406947

CCCC1COC(c2cc(F)c(C#N)c(F)c2)OC1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.35
KDM4E B2RXH2 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 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
SCHEMBL9406939 1.00 TRPV4 (0.35) TRPV4KDM4ECYP11B1CYP11B2ALDH1A1
SCHEMBL9406991 0.95 TRPV4 (0.32) TRPV4
SCHEMBL9406989 0.95 TRPV4 (0.32) TRPV4
SCHEMBL30332276 0.92 CYP11B1 (0.32) TRPV4KDM4ECYP11B1CYP11B2
SCHEMBL9406809 0.92 TRPV4 (0.33) TRPV4CYP11B1CYP11B2
SCHEMBL9859942 0.92 TRPV4 (0.33) TRPV4CYP11B1CYP11B2
SCHEMBL9406856 0.91 ALDH1A1 (0.33) TRPV4ALDH1A1
SCHEMBL9406851 0.91 ALDH1A1 (0.33) TRPV4ALDH1A1
SCHEMBL9406958 0.89 ALDH1A1 (0.35) TRPV4ALDH1A1
SCHEMBL9406982 0.89 ALDH1A1 (0.35) TRPV4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7258903-B2 Fast switching liquid crystal compositions for use in bistable liquid crystal devices MERCK PATENT GMBH (DE) 2007-08-21 US disclosed
US-7258903-B2 Fast switching liquid crystal compositions for use in bistable liquid crystal devices MERCK PATENT GMBH (DE) 2007-08-21 US disclosed
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