SCHEMBL2875694

SCHEMBL2875694

COc1ccc(C=O)c(Cc2ccccc2)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
HTT P42858 4/20 0.50
POLB P06746 2/20 0.50
KDM4E B2RXH2 2/20 0.50
GAA P10253 1/20 0.50
TUBB1 Q9H4B7 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
HSD17B10 Q99714 1/20 0.42
HTR1A P08908 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
SIRT1 Q96EB6 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 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
SCHEMBL27796132 0.87 ALDH1A1 (0.43) ALDH1A1HTTPOLBKDM4EGAA
SCHEMBL7948327 0.83 CA1 (0.53) ALDH1A1HTTPOLBKDM4EGAA
SCHEMBL17821776 0.83 ERN1 (0.53) KDM4EHSD17B10ERN1MAPTTLR2
SCHEMBL6536167 0.81 ERN1 (0.53) ALDH1A1HTTGAAKMT2ASMN1; SMN2
SCHEMBL8503919 0.80 ALDH1A1 (0.45) ALDH1A1POLBKDM4ETUBB1KMT2A
SCHEMBL28675718 0.80 ERN1 (0.50) ERN1MAPTTLR2TLR1TLR6
SCHEMBL8032642 0.79 BCHE (0.50) KDM4ETUBB1MEN1KMT2AL3MBTL1
SCHEMBL6771229 0.79 BCHE (0.50) KDM4ETUBB1MEN1KMT2AL3MBTL1
SCHEMBL27796139 0.78 CA1 (0.42) ALDH1A1HTTPOLBKDM4EGAA
SCHEMBL29044998 0.78 POLB (0.49) ALDH1A1HTTPOLBKDM4EGAA

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
EP-2166871-A1 TASTE POTENTIATOR COMPOSITIONS IN ORAL DELIVERY SYSTEMS Cadbury Adams USA LLC (US) 2010-03-31 EP disclosed
WO-2008141333-A1 TASTE POTENTIATOR COMPOSITIONS IN ORAL DELIVERY SYSTEMS CADBURY ADAMS USA LLC (US) 2008-11-20 WO disclosed