SCHEMBL4637286

SCHEMBL4637286

COc1ccc(C=O)cc1OC1CCc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
TSHR P16473 1/20 0.51
TTR P02766 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45
PDE4A P27815 2/20 0.45
PDE4B Q07343 2/20 0.45
PDE4C Q08493 2/20 0.45
PDE4D Q08499 2/20 0.45
NOX1 Q9Y5S8 1/20 0.43
FDPS P14324 1/20 0.43
IDO1 P14902 2/20 0.42
PIN1 Q13526 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
CASP3 P42574 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
SENP8 Q96LD8 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
SENP6 Q9GZR1 2/20 0.42
HPGD P15428 2/20 0.42

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
SCHEMBL6582284 0.85 ALDH1A1 (0.54) ALDH1A1TSHRTTRTAAR1PDE4A
Hydrochloric Acid SCHEMBL7147928 0.80 ALDH1A1 (0.46) ALDH1A1TSHRTTRPDE4BFDPS
SCHEMBL498539 0.79 ALDH1A1 (0.60) ALDH1A1TSHRTTRPDE4APDE4B
SCHEMBL4637290 0.77 ALDH1A1 (0.51) ALDH1A1TSHRIDO1LMNAKMT2A
SCHEMBL8707317 0.76 NR1H3 (0.51) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL22713946 0.75 ALDH1A1 (0.68) ALDH1A1TSHRTTRPDE4APDE4B
SCHEMBL7425987 0.75 SMPD1 (0.47) IDO1
SCHEMBL4637327 0.75 FFAR1 (0.43) PDE4APDE4BPDE4CPDE4DNOX1
SCHEMBL7425979 0.74 NPC1 (0.43) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL6883557 0.74 ALDH1A1 (0.66) ALDH1A1TSHRPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1468991-B1 Imides as PDE III, PDE IV and TNF inhibitors CELGENE CORP (US) 2008-02-20 EP disclosed
EP-1468991-A1 Imides as PDE III, PDE IV and TNF inhibitors CELGENE CORPORATION (US) 2004-10-20 EP disclosed
EP-0874819-B1 IMIDES AS PDE III, PDE IV AND TNF INHIBITORS CELGENE CORP (US) 2004-05-26 EP disclosed
EP-0874819-A1 IMIDES AS PDE III, PDE IV AND TNF INHIBITORS CELGENE CORPORATION (US) 1998-11-04 EP disclosed
US-5728844-A INHIBITORS OF TUMOR NECROSIS AND PHOSPHODIESTERASE CELGENE CORPORATION (US) 1998-03-17 US disclosed
WO-1997023457-A1 IMIDES AS PDE III, PDE IV AND TNF INHIBITORS CELGENE CORPORATION (US) 1997-07-03 WO disclosed