SCHEMBL7337264

SCHEMBL7337264

COc1ccc(C=O)cc1O[C@@H]1CC[C@@H](O)C1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
TSHR P16473 1/20 0.57
AOX1 Q06278 1/20 0.49
TRIM24 O15164 1/20 0.49
HPGD P15428 1/20 0.49
ALDH5A1 P51649 1/20 0.49
ABAT P80404 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TRIM33 Q9UPN9 1/20 0.49
PDE4B Q07343 7/20 0.48
FDPS P14324 1/20 0.47
PDE4D Q08499 3/20 0.46
PDE4A P27815 1/20 0.44
PDE4C Q08493 1/20 0.44
TTR P02766 1/20 0.43
ALDH1A3 P47895 1/20 0.43

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
SCHEMBL7344412 1.00 ALDH1A1 (0.57) ALDH1A1TSHRAOX1TRIM24HPGD
SCHEMBL22713946 0.88 ALDH1A1 (0.68) ALDH1A1TSHRAOX1TRIM24HPGD
SCHEMBL7342802 0.84 ALDH1A1 (0.51) ALDH1A1TSHRAOX1TRIM24HPGD
SCHEMBL7342807 0.84 ALDH1A1 (0.51) ALDH1A1TSHRAOX1TRIM24HPGD
SCHEMBL7342798 0.84 ALDH1A1 (0.51) ALDH1A1TSHRAOX1TRIM24HPGD
SCHEMBL6883557 0.84 ALDH1A1 (0.66) ALDH1A1TSHRPDE4BFDPSPDE4D
SCHEMBL29808190 0.82 ALDH1A1 (0.64) ALDH1A1TSHRPDE4BPDE4DPDE4A
SCHEMBL70835 0.82 ALDH1A1 (0.64) ALDH1A1TSHRPDE4BPDE4DPDE4A
SCHEMBL7560477 0.82 ALDH1A1 (0.64) ALDH1A1TSHRPDE4BPDE4DPDE4A
SCHEMBL13522989 0.82 ALDH1A1 (0.68) ALDH1A1TSHRAOX1TRIM24HPGD

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
WO-1996031476-A1 AROMATIC HYDROXYETHERS RHONE-POULENC RORER LIMITED (GB) 1996-10-10 WO disclosed