SCHEMBL19224335

SCHEMBL19224335

CCCCCC1CCC(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 4/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
CA2 P00918 2/20 0.33
CA1 P00915 1/20 0.33
PTGS1 P23219 2/20 0.32
PTGS2 P35354 2/20 0.32
PKM P14618 1/20 0.32
MAPT P10636 1/20 0.32
F2R P25116 1/20 0.32
POLB P06746 1/20 0.32
TYR P14679 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX5 P09917 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HTT P42858 1/20 0.32
CYP1A2 P05177 1/20 0.31
FASN P49327 1/20 0.31
NR5A2 O00482 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
SCHEMBL19224337 0.96 ALDH1A1 (0.34) ALDH1A1KDM4EGAACA2CA1
SCHEMBL19224338 0.91 FASN (0.36) ALDH1A1KDM4EGAACA2CA1
SCHEMBL19224334 0.85 CA2 (0.37) ALDH1A1KDM4EGAACA2CA1
SCHEMBL17735669 0.84
SCHEMBL9936660 0.83 CA2 (0.35) ALDH1A1KDM4EGAACA2CA1
SCHEMBL25693909 0.82 ALDH1A1 (0.36) ALDH1A1KDM4EGAACA2CA1
SCHEMBL25693911 0.82 ALDH1A1 (0.36) ALDH1A1KDM4EGAACA2CA1
SCHEMBL25693907 0.82 ALDH1A1 (0.36) ALDH1A1KDM4EGAACA2CA1
SCHEMBL19228220 0.82 ALDH1A1 (0.36) ALDH1A1KDM4EGAACA2CA1
SCHEMBL19628559 0.81 CA2 (0.38) 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 2 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-20170226420-A1 COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2017-08-10 US disclosed