SCHEMBL8499580

SCHEMBL8499580

COc1ccc(COCCOCc2ccc(OC)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.61
AGXT P21549 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
APP P05067 7/20 0.58
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA12 O43570 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
MAOB P27338 1/20 0.52
CALM1 P0DP23 1/20 0.50
LTA4H P09960 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
HTT P42858 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48

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
SCHEMBL17230489 0.94 TDP1 (0.56) IDO1AGXTTDP1L3MBTL1APP
SCHEMBL17230490 0.92 APP (0.56) IDO1AGXTTDP1L3MBTL1APP
SCHEMBL17230498 0.92 TDP1 (0.54) IDO1AGXTTDP1L3MBTL1APP
SCHEMBL8368000 0.92 APP (0.70) IDO1AGXTTDP1L3MBTL1APP
SCHEMBL34413 0.90 IDO1 (0.67) IDO1AGXTTDP1L3MBTL1APP
SCHEMBL12462062 0.89 TDP1 (0.56) IDO1AGXTTDP1L3MBTL1APP
SCHEMBL16093231 0.88 APP (0.57) IDO1AGXTTDP1L3MBTL1APP
SCHEMBL16321948 0.88 APP (0.57) IDO1AGXTTDP1L3MBTL1APP
SCHEMBL15532301 0.88 APP (0.57) IDO1AGXTTDP1L3MBTL1APP
SCHEMBL22704320 0.88 APP (0.53) IDO1AGXTTDP1L3MBTL1APP

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
EP-1908768-A1 Anticoagulant compounds Endotis Pharma (FR) 2008-04-09 EP disclosed