SCHEMBL4064309

SCHEMBL4064309

COC(=O)c1ocnc1-c1cc(C(C)C)c(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.41
GLRA1 P23415 1/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
RXRA P19793 1/20 0.39
PPIA P62937 1/20 0.37
SMPD1 P17405 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BRD4 O60885 2/20 0.36
CSNK2A2 P19784 1/20 0.35
CSNK2A1 P68400 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
SCHEMBL13848415 0.82 ALDH1A1 (0.36) HPGDRXRAALDH1A1HTTMAPK1
SCHEMBL4065989 0.81 POLB (0.39) HPGDLMNAMAPT
SCHEMBL4068033 0.80 MAPT (0.40) GLRA1HPGDLMNARXRAALDH1A1
SCHEMBL30985926 0.79 BRD4 (0.46) NOTUMGLRA1HPGDLMNASMPD1
SCHEMBL22529568 0.79 BRD4 (0.46) NOTUMGLRA1HPGDLMNASMPD1
SCHEMBL13848295 0.78 HPGD (0.48) HPGDLMNAALDH1A1MAPTMAPK1
SCHEMBL4071442 0.78 BRD4 (0.38) GLRA1HPGDLMNARXRAMAPT
SCHEMBL19638242 0.78 RXRA (0.41) GLRA1RXRABRD4
SCHEMBL4072661 0.77 GSK3B (0.43) HPGDLMNAALDH1A1HTTMAPT
SCHEMBL20427916 0.77 ALDH1A1 (0.40) GLRA1HPGDRXRASMPD1HDAC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009066060-A2 4-SUBSTITUTED-6-ISOPROPYL-BENZENE-1,3-DIOL COMPOUNDS AND THEIR USE TOPOTARGET A/S (DK) 2009-05-28 WO disclosed