SCHEMBL6912463

SCHEMBL6912463

CCc1c(C)c(O)c2ccccc2c1CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 7/20 0.39
PKM P14618 1/20 0.38
TP53 P04637 2/20 0.37
CYP3A4 P08684 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
HIF1A Q16665 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
ALDH1A1 P00352 6/20 0.36
HPGD P15428 5/20 0.36
HSD17B10 Q99714 3/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 3/20 0.36
DAO P14920 1/20 0.35
DDO Q99489 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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 0.91 HTT (0.43) HTTLMNAKDM4EPKMGABRA1
SCHEMBL6912467 0.83 KDM4E (0.42) HTTLMNAKDM4EPKMTP53
SCHEMBL6917217 0.83 ALDH1A1 (0.40) HTTLMNAKDM4EPKMTP53
SCHEMBL14533464 0.83 GABRA1 (0.39) HTTLMNAKDM4EPKMTP53
SCHEMBL11305916 0.82 GABRA1 (0.42) HTTLMNAKDM4EPKMGABRA1
SCHEMBL8613100 0.80 TP53 (0.40) HTTLMNAKDM4ETP53CYP3A4
SCHEMBL9576844 0.80 TP53 (0.40) HTTLMNAKDM4ETP53CYP3A4
SCHEMBL27793100 0.80 KDM4E (0.43) LMNAKDM4EPKMSMN1; SMN2ALDH1A1
SCHEMBL3244018 0.77 LMNA (0.54) HTTLMNAKDM4EPKMCYP1A2
SCHEMBL8821847 0.77 TP53 (0.43) HTTLMNAKDM4ETP53SMN1; 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