SCHEMBL19224334

SCHEMBL19224334

CCC1CCC(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)OC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.37
CA1 P00915 2/20 0.37
ALDH1A1 P00352 7/20 0.37
KDM4E B2RXH2 4/20 0.37
GAA P10253 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
TYR P14679 1/20 0.36
MAPT P10636 3/20 0.35
LMNA P02545 3/20 0.34
MEN1 O00255 2/20 0.34
HTT P42858 2/20 0.34
KMT2A Q03164 2/20 0.34
TSHR P16473 2/20 0.34
GALR3 O60755 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RECQL P46063 1/20 0.34
ALOX15 P16050 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL19224338 0.89 FASN (0.36) CA2CA1ALDH1A1KDM4EGAA
SCHEMBL19228220 0.87 ALDH1A1 (0.36) CA2CA1ALDH1A1KDM4EGAA
SCHEMBL19224337 0.87 ALDH1A1 (0.34) CA2CA1ALDH1A1KDM4EGAA
SCHEMBL19224335 0.85 ALDH1A1 (0.33) CA2CA1ALDH1A1KDM4EGAA
SCHEMBL19224336 0.81 CA2 (0.40) CA2CA1ALDH1A1KDM4EGAA
SCHEMBL19677866 0.81 CA2 (0.40) CA2CA1ALDH1A1KDM4EGAA
SCHEMBL17637479 0.81 CA2 (0.40) CA2CA1ALDH1A1KDM4EGAA
SCHEMBL19228221 0.79 ALDH1A1 (0.34) CA2CA1ALDH1A1KDM4EGAA
SCHEMBL19160572 0.77 CA2 (0.42) CA2CA1ALDH1A1KDM4EGAA
SCHEMBL19677841 0.77 CA2 (0.37) CA2CA1ALDH1A1KDM4EGAA

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