SCHEMBL9556296

SCHEMBL9556296

CCCC[C@H]1CC[C@H]([C@H]2CO[C@H](c3ccc(F)c(F)c3)OC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
CYP1A2 P05177 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
KMT2A Q03164 1/20 0.31
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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
SCHEMBL9556298 1.00 TP53 (0.32) TP53POLBMAPTCYP1A2HTR2A
SCHEMBL9556518 0.96 GAA (0.32) MAPTCYP1A2HTR2AHTR2CHTR2B
SCHEMBL9556519 0.96 GAA (0.32) MAPTCYP1A2HTR2AHTR2CHTR2B
SCHEMBL9556309 0.95 GAA (0.33) MAPTCYP1A2KMT2A
SCHEMBL9556431 0.95 GAA (0.33) MAPTCYP1A2KMT2A
SCHEMBL10432466 0.95 GAA (0.33) MAPTCYP1A2KMT2A
SCHEMBL10432491 0.95 GAA (0.33) MAPTCYP1A2KMT2A
SCHEMBL10432490 0.95 GAA (0.33) MAPTCYP1A2KMT2A
SCHEMBL9556310 0.95 GAA (0.33) MAPTCYP1A2KMT2A
SCHEMBL9556370 0.95 GAA (0.33) MAPTCYP1A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0400861-A1 1,3-dioxane derivative and liquid crystal composition incorporating the same SEIKO EPSON CORPORATION (JP) 1990-12-05 EP claimed
US-5238599-A Low threshold voltage, low driving voltage SEIKO EPSON CORPORATION (JP) 1993-08-24 US disclosed
EP-0400861-A1 1,3-dioxane derivative and liquid crystal composition incorporating the same SEIKO EPSON CORPORATION (JP) 1990-12-05 EP disclosed