SCHEMBL9406963

SCHEMBL9406963

CCCCCCC1COC(c2cc(F)c(C#N)c(F)c2)OC1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TRPV4 Q9HBA0 1/20 0.32
GRM2 Q14416 3/20 0.31
EPHX1 P07099 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
SCHEMBL9406982 1.00 ALDH1A1 (0.35) ALDH1A1TRPV4GRM2EPHX1
SCHEMBL9407004 1.00 ALDH1A1 (0.35) ALDH1A1TRPV4GRM2EPHX1
SCHEMBL9406950 1.00 ALDH1A1 (0.35) ALDH1A1TRPV4GRM2EPHX1
SCHEMBL9406937 1.00 ALDH1A1 (0.35) ALDH1A1TRPV4GRM2EPHX1
SCHEMBL9406932 1.00 ALDH1A1 (0.35) ALDH1A1TRPV4GRM2EPHX1
SCHEMBL9859076 1.00 ALDH1A1 (0.35) ALDH1A1TRPV4GRM2EPHX1
SCHEMBL9406958 1.00 ALDH1A1 (0.35) ALDH1A1TRPV4GRM2EPHX1
SCHEMBL9406953 1.00 ALDH1A1 (0.35) ALDH1A1TRPV4GRM2EPHX1
SCHEMBL9407002 1.00 ALDH1A1 (0.35) ALDH1A1TRPV4GRM2EPHX1
SCHEMBL9406851 0.99 ALDH1A1 (0.33) ALDH1A1TRPV4

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
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