SCHEMBL7362448

SCHEMBL7362448

COc1ccc(C=O)cc1OC1CC2CCC1O2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
TSHR P16473 1/20 0.51
FDPS P14324 1/20 0.43
AOX1 Q06278 1/20 0.41
TRIM24 O15164 1/20 0.41
HPGD P15428 1/20 0.41
ALDH5A1 P51649 1/20 0.41
ABAT P80404 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
TTR P02766 1/20 0.40
ALDH1A3 P47895 1/20 0.39
PDE4B Q07343 7/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PDE4D Q08499 3/20 0.38
PDE3A Q14432 2/20 0.37

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
SCHEMBL8553907 0.79 CA12 (0.52) TSHRTTRPDE4BLMNAHTT
SCHEMBL7363109 0.79 PDE4D (0.42) TSHRPDE4BPDE4DPDE4APDE4C
SCHEMBL7358878 0.78 ALDH1A1 (0.51) ALDH1A1TSHRFDPSAOX1TRIM24
SCHEMBL4637716 0.75 ALDH1A1 (0.55) ALDH1A1TSHRFDPSAOX1TRIM24
SCHEMBL22713946 0.75 ALDH1A1 (0.68) ALDH1A1TSHRFDPSAOX1TRIM24
SCHEMBL7359792 0.75 ALDH1A1 (0.51) ALDH1A1TSHRFDPSAOX1TRIM24
SCHEMBL7278324 0.74 PDE4B (0.60) ALDH1A1TSHRPDE4BPDE4DPDE3A
SCHEMBL7288403 0.74 PDE4B (0.60) ALDH1A1TSHRPDE4BPDE4DPDE3A
SCHEMBL7270844 0.74 PDE4B (0.60) ALDH1A1TSHRPDE4BPDE4DPDE3A
SCHEMBL4637257 0.74 ALDH1A1 (0.54) ALDH1A1TSHRFDPSAOX1TRIM24

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
EP-0741707-B1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE POULENC RORER LTD (GB) 1998-04-01 EP disclosed
EP-0741707-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1996-11-13 EP disclosed
WO-1995020578-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-08-03 WO disclosed