SCHEMBL9358359

SCHEMBL9358359

CCCCC[C@H]1CO[C@H](c2ccc(C(=O)O)cc2)OC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
PLA2G4B P0C869 3/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RARA P10276 1/20 0.41
MAPT P10636 1/20 0.41
MTOR P42345 1/20 0.41
KMT2A Q03164 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
LTA4H P09960 1/20 0.39
PLA2G4A P47712 1/20 0.38

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
SCHEMBL8746433 1.00 RARB (0.42) RARBTP53TSHRPLA2G4BMEN1
SCHEMBL8746436 0.99 TP53 (0.44) RARBTP53TSHRPLA2G4BMEN1
Hydrochloric Acid SCHEMBL10973153 0.99 RARB (0.41) RARBTP53TSHRPLA2G4BMEN1
SCHEMBL9874731 0.99 TP53 (0.44) RARBTP53TSHRPLA2G4BMEN1
SCHEMBL9358344 0.99 TP53 (0.44) RARBTP53TSHRPLA2G4BMEN1
SCHEMBL5684559 0.99 TP53 (0.44) RARBTP53TSHRPLA2G4BMEN1
Hydrochloric Acid SCHEMBL10973136 0.99 RARB (0.41) RARBTP53TSHRPLA2G4BMEN1
SCHEMBL9874737 0.99 TP53 (0.44) RARBTP53TSHRPLA2G4BMEN1
SCHEMBL9578525 0.96 RARB (0.41) RARBTP53TSHRPLA2G4BMEN1
SCHEMBL11284649 0.88 CYP2C9 (0.50) MEN1ALDH1A1MAPTKMT2ATHRA

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
EP-0332392-B1 Dioxane liquid crystal compounds SHOWA SHELL SEKIYU (JP) 1994-12-07 EP claimed
EP-0332392-B1 Dioxane liquid crystal compounds SHOWA SHELL SEKIYU (JP) 1994-12-07 EP disclosed
US-5171471-A Having wide range of phase transition temperatures for faster optical response times SHOWA SHELL SEKIYU K.K. (JP) 1992-12-15 US disclosed
EP-0332392-A2 Dioxane liquid crystal compounds Showa Shell Sekiyu Kabushiki Kaisha (JP) 1989-09-13 EP disclosed
US-4364838-A Liquid crystal mixtures HOFFMANN-LA ROCHE INC. (US) 1982-12-21 US disclosed