SCHEMBL9406797

SCHEMBL9406797

CCCCCC[C@H]1CC[C@H](CC[C@H]2CO[C@H](c3cc(F)c(C#N)c(F)c3)OC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
EPHX1 P07099 1/20 0.31
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 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
SCHEMBL9859762 1.00 ALDH1A1 (0.32) ALDH1A1GAAMAPTEPHX1MEN1
SCHEMBL9407023 1.00 ALDH1A1 (0.32) ALDH1A1GAAMAPTEPHX1MEN1
SCHEMBL9407016 1.00 ALDH1A1 (0.32) ALDH1A1GAAMAPTEPHX1MEN1
SCHEMBL9407060 1.00 ALDH1A1 (0.32) ALDH1A1GAAMAPTEPHX1MEN1
SCHEMBL9406997 1.00 ALDH1A1 (0.32) ALDH1A1GAAMAPTEPHX1MEN1
SCHEMBL9407057 1.00 ALDH1A1 (0.32) ALDH1A1GAAMAPTEPHX1MEN1
SCHEMBL9859757 1.00 ALDH1A1 (0.32) ALDH1A1GAAMAPTEPHX1MEN1
SCHEMBL9406993 1.00 ALDH1A1 (0.32) ALDH1A1GAAMAPTEPHX1MEN1
SCHEMBL9406803 1.00 ALDH1A1 (0.32) ALDH1A1GAAMAPTEPHX1MEN1
SCHEMBL9406788 0.99 CYP1A2 (0.30)

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