SCHEMBL6326458

SCHEMBL6326458

C(=COc1ccccc1)COc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.59
KCNA3 P22001 1/20 0.44
LTA4H P09960 5/20 0.42
TSHR P16473 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RECQL P46063 1/20 0.40
PLA2G2A P14555 1/20 0.39
ALOX15 P16050 1/20 0.39
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36

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
SCHEMBL9045406 0.89 AOC3 (0.49) AOC3KCNA3LTA4HALDH1A1RECQL
SCHEMBL419306 0.84 AOC3 (0.78) AOC3KCNA3LTA4HTSHRTAAR1
SCHEMBL419305 0.84 AOC3 (0.78) AOC3KCNA3LTA4HTSHRTAAR1
SCHEMBL8572677 0.81 IDO1 (0.53) AOC3KCNA3LTA4HTSHRTAAR1
SCHEMBL11553436 0.81 AOC3 (0.57) AOC3KCNA3LTA4HTAAR1ALDH1A1
SCHEMBL7620714 0.79 KCNA3 (0.52) AOC3KCNA3LTA4HTAAR1ALDH1A1
SCHEMBL7620711 0.79 KCNA3 (0.52) AOC3KCNA3LTA4HTAAR1ALDH1A1
SCHEMBL2650170 0.77 AOC3 (0.52) AOC3KCNA3LTA4HTSHRTAAR1
SCHEMBL11541783 0.76 LTA4H (0.45) AOC3KCNA3LTA4HTSHRTAAR1
SCHEMBL11541789 0.76 LTA4H (0.45) AOC3KCNA3LTA4HTSHRTAAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6858565-B2 Thermosensitive recording material and novel color developer compounds OJI PAPER CO., LTD. (JP) 2005-02-22 US disclosed
US-20030040434-A1 Thermosensitive recording material and novel color developer compounds OJI PAPER CO., LTD. (JP) 2003-02-27 US disclosed
EP-1264707-A2 Thermosensitive recording material and novel color developer compounds OJI PAPER CO., LTD. (JP) 2002-12-11 EP disclosed