SCHEMBL10826166

SCHEMBL10826166

O=C(O)CCC/C=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
KDM4E B2RXH2 2/20 0.58
AKR1C3 P42330 4/20 0.54
APP P05067 5/20 0.52
ALDH1A1 P00352 3/20 0.52
THRB P10828 1/20 0.52
PSMD14 O00487 1/20 0.52
POLB P06746 1/20 0.52
PLEC Q15149 1/20 0.52
PTGER4 P35408 1/20 0.51
PTGER3 P43115 1/20 0.51
PTGER2 P43116 1/20 0.51
APAF1 O14727 1/20 0.49
KMT2A Q03164 1/20 0.49
ADAMTS5 Q9UNA0 1/20 0.49
HPGD P15428 2/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL10826169 1.00 LMNA (0.58) LMNAKDM4EAKR1C3APPALDH1A1
SCHEMBL10826286 0.86 LMNA (0.57) LMNAKDM4EAKR1C3APPALDH1A1
SCHEMBL10826288 0.86 LMNA (0.57) LMNAKDM4EAKR1C3APPALDH1A1
SCHEMBL11335643 0.83 LMNA (0.52) LMNAKDM4EAKR1C3APPALDH1A1
SCHEMBL3672656 0.80 LMNA (0.60) LMNAKDM4EAKR1C3APPALDH1A1
SCHEMBL3681804 0.80 LMNA (0.60) LMNAKDM4EAKR1C3APPALDH1A1
SCHEMBL8887928 0.80 PPARA (0.60) KDM4EKMT2A
SCHEMBL8887936 0.80 PPARA (0.60) KDM4EKMT2A
SCHEMBL11179981 0.79 KDM4E (0.74) LMNAKDM4EAKR1C3APPALDH1A1
SCHEMBL5848040 0.79 KDM4E (0.87) LMNAKDM4EAKR1C3APPALDH1A1

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-4618627-A ALLERGIES YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1986-10-21 US disclosed
EP-0125919-A2 Catechol derivatives, their production and intermediates therefor, and pharmaceutical compositions containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1984-11-21 EP disclosed