SCHEMBL19224338

SCHEMBL19224338

CCCC1CCC(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)OC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.36
ALDH1A1 P00352 7/20 0.35
KDM4E B2RXH2 4/20 0.35
GAA P10253 3/20 0.35
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 1/20 0.34
TYR P14679 1/20 0.34
MAPT P10636 2/20 0.34
FYN P06241 1/20 0.33
LMNA P02545 3/20 0.33
PTGS1 P23219 2/20 0.33
CYP2C9 P11712 2/20 0.33
RECQL P46063 1/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 2/20 0.33
GALR3 O60755 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
SCHEMBL19224337 0.92 ALDH1A1 (0.34) FASNALDH1A1KDM4EGAACA2
SCHEMBL19224335 0.91 ALDH1A1 (0.33) FASNALDH1A1KDM4EGAACA2
SCHEMBL19224334 0.89 CA2 (0.37) ALDH1A1KDM4EGAACA2CA1
SCHEMBL19228220 0.85 ALDH1A1 (0.36) ALDH1A1KDM4EGAACA2CA1
SCHEMBL9937906 0.82 CA2 (0.38) ALDH1A1KDM4EGAACA2CA1
SCHEMBL18468337 0.82 CA2 (0.38) ALDH1A1KDM4EGAACA2CA1
SCHEMBL15445317 0.82 FASN (0.38) FASNALDH1A1MAPTFYNLMNA
SCHEMBL16080744 0.81 FASN (0.39) FASNALDH1A1MAPTFYNLMNA
SCHEMBL5580680 0.80 CYP2C9 (0.47) ALDH1A1KDM4EGAACA2CA1
SCHEMBL9939522 0.80 CYP2C9 (0.47) 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