SCHEMBL6912467

SCHEMBL6912467

CCc1c(CC)c(O)c2ccccc2c1C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 5/20 0.42
HPGD P15428 5/20 0.42
HSD17B10 Q99714 3/20 0.42
GAA P10253 1/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
PKM P14618 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CFTR P13569 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37

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
SCHEMBL10699533 0.87 HTT (0.43) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL6912463 0.83 HTT (0.41) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL6917217 0.83 ALDH1A1 (0.40) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL9576844 0.80 TP53 (0.40) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL14533464 0.78 GABRA1 (0.39) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL11305916 0.78 GABRA1 (0.42) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL28275472 0.78 TP53 (0.41) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL8613100 0.76 TP53 (0.40) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL11577554 0.75 CYP1A2 (0.47) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL9812685 0.75 KDM4E (0.50) KDM4EALDH1A1HPGDCYP1A2SMN1; SMN2

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-20040075802-A1 Sealant for liquid crystal display cell, composition for liquid crystal display cell sealant and liquid crystal display element MITSUI CHEMICALS, INC. (JP) 2004-04-22 US disclosed
EP-1153952-A1 SEALING AGENT FOR LIQUID-CRYSTAL DISPLAY CELL, COMPOSITION FOR SEALING AGENT FOR LIQUID-CRYSTAL DISPLAY CELL, AND LIQUID-CRYSTAL DISPLAY ELEMENT Mitsui Chemicals, Inc. (JP) 2001-11-14 EP disclosed