SCHEMBL19224337

SCHEMBL19224337

CCCCC1CCC(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)OC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
CA2 P00918 2/20 0.33
CA1 P00915 1/20 0.33
PTGS1 P23219 3/20 0.33
PTGS2 P35354 2/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.33
TYR P14679 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.33
ALOX5 P09917 1/20 0.32
LMNA P02545 2/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
NR5A2 O00482 1/20 0.32
NR5A1 Q13285 1/20 0.32
FASN P49327 1/20 0.32
RECQL P46063 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
SCHEMBL19224335 0.96 ALDH1A1 (0.33) ALDH1A1KDM4EGAACA2CA1
SCHEMBL19224338 0.92 FASN (0.36) ALDH1A1KDM4EGAACA2CA1
SCHEMBL19224334 0.87 CA2 (0.37) ALDH1A1KDM4EGAACA2CA1
SCHEMBL19224339 0.83 CA2 (0.36) ALDH1A1KDM4EGAACA2CA1
SCHEMBL19228220 0.83 ALDH1A1 (0.36) ALDH1A1KDM4EGAACA2CA1
SCHEMBL19623181 0.81 CA2 (0.39) ALDH1A1KDM4EGAACA2CA1
SCHEMBL17735669 0.81
SCHEMBL9936660 0.79 CA2 (0.35) ALDH1A1KDM4EGAACA2CA1
SCHEMBL25693911 0.78 ALDH1A1 (0.36) ALDH1A1KDM4EGAACA2CA1
SCHEMBL25693909 0.78 ALDH1A1 (0.36) ALDH1A1KDM4EGAACA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170306231-A1 COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2017-10-26 US disclosed
US-20170306231-A1 COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2017-10-26 US disclosed
US-20170226420-A1 COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2017-08-10 US disclosed
US-20170226420-A1 COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2017-08-10 US disclosed