SCHEMBL5899573

SCHEMBL5899573

C=CC(=O)OCCOc1ccc(C(C)(C)c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.63
KDM4E B2RXH2 8/20 0.51
ALDH1A1 P00352 7/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
GAA P10253 1/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
POLB P06746 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 1/20 0.47
MAOB P27338 1/20 0.46
NR4A2 P43354 2/20 0.45
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
NR4A1 P22736 1/20 0.45
NR4A3 Q92570 1/20 0.45
LMNA P02545 2/20 0.45

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
SCHEMBL69516 0.91 THRB (0.71) THRBKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL14749609 0.89 THRB (0.56) THRBKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL137572 0.89 THRB (0.65) THRBKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL14173110 0.89 THRB (0.65) THRBKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL10033662 0.88 THRB (0.66) THRBKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL12430586 0.88 THRB (0.66) THRBKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL5899575 0.88 THRB (0.70) THRBKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL5899557 0.88 NPC1 (0.52) THRBKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL1690817 0.86 THRB (0.58) THRBKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL28483790 0.85 THRB (0.61) THRBKDM4EALDH1A1SMN1; SMN2GAA

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
US-20060261318-A1 Light control film SUMITOMO CHEMICAL COMPANY, LIMITED 2006-11-23 US disclosed