SCHEMBL12866520

SCHEMBL12866520

C=CC(=O)OCCNC(=O)OCCOc1ccc(C(C)(C)c2ccc(OCCOC(=O)NCCOC(=O)C=C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.52
KDM4E B2RXH2 9/20 0.48
ALDH1A1 P00352 6/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
GAA P10253 2/20 0.47
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
HTT P42858 2/20 0.44
POLB P06746 3/20 0.43
NPC1 O15118 2/20 0.43
CASP3 P42574 1/20 0.43
RAB9A P51151 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL14780972 0.94 THRB (0.49) THRBKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL13309597 0.90 THRB (0.45) THRBKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL137572 0.89 THRB (0.65) THRBKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL14173110 0.89 THRB (0.65) THRBKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL23450561 0.86 THRB (0.56) THRBKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL21033752 0.85 THRB (0.49) THRBALDH1A1MEN1KMT2APOLB
SCHEMBL23422568 0.85 THRB (0.44) THRBKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL19770675 0.85 THRB (0.60) THRBKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL7631129 0.85 THRB (0.60) THRBKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL1618613 0.85 THRB (0.60) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7888399-B2 Curable composition containing thiol compound SHOWA DENKO K.K. (JP) 2011-02-15 US disclosed
US-7888399-B2 Curable composition containing thiol compound SHOWA DENKO K.K. (JP) 2011-02-15 US disclosed
US-20090023831-A1 Curable Composition Containing Thiol Compound SHOWA DENKO K.K. (JP) 2009-01-22 US disclosed
US-20090023831-A1 Curable Composition Containing Thiol Compound SHOWA DENKO K.K. (JP) 2009-01-22 US disclosed
EP-1983017-A1 CURABLE COMPOSITION CONTAINING THIOL COMPOUND Showa Denko K.K. (JP) 2008-10-22 EP disclosed