SCHEMBL6418650

SCHEMBL6418650

Cc1cc(CCO)cc(CCO)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.44
PGK2 P07205 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX5 P09917 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
BACE1 P56817 1/20 0.41
CA2 P00918 1/20 0.40
CYP4F2 P78329 3/20 0.36
CYP4A11 Q02928 3/20 0.36
TKT P29401 1/20 0.34
SELL P14151 1/20 0.33
SELP P16109 1/20 0.33
SELE P16581 1/20 0.33
ACHE P22303 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL7429249 0.94 TDP1 (0.42) PGK1PGK2TDP1ALDH1A1KDM4E
SCHEMBL1247063 0.89 PGK1 (0.38) PGK1PGK2TDP1ALDH1A1KDM4E
SCHEMBL63871 0.85 TDP1 (0.53) TDP1ALDH1A1KDM4EALOX5GAA
SCHEMBL8417016 0.84 PTGS1 (0.37) PGK1PGK2TDP1ALDH1A1KDM4E
SCHEMBL13180741 0.84 CNR1 (0.38) PGK1PGK2TDP1ALDH1A1KDM4E
SCHEMBL16962202 0.84 TACR1 (0.38) PGK1PGK2TDP1ALDH1A1KDM4E
SCHEMBL27667787 0.84 ALDH1A1 (0.52) PGK1PGK2TDP1ALDH1A1KDM4E
SCHEMBL17277615 0.83 MAOA (0.41) PGK1PGK2BACE1TAAR1
SCHEMBL11766486 0.80 CALM1 (0.44) ALDH1A1ACHE
SCHEMBL80615 0.79 TNKS2 (0.47) PGK1PGK2ALDH1A1KDM4ECA2

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-6905803-B2 Lithographic printing plate precursor FUJI PHOTO FILM CO., LTD. (JP) 2005-06-14 US disclosed
US-20040023146-A1 Lithographic printing plate precursor FUJI PHOTO FILM CO., LTD. (JP) 2004-02-05 US disclosed