SCHEMBL8768656

SCHEMBL8768656

CCOCOc1c(C(C)(C)C)cc(SCCO)cc1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 8/20 0.36
TDP1 Q9NUW8 1/20 0.32
CPT1B Q92523 1/20 0.30
ALOX15 P16050 3/20 0.30
HPN P05981 1/20 0.30
MAPT P10636 1/20 0.30
SIRT5 Q9NXA8 1/20 0.30

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
SCHEMBL8768660 0.79 CYP3A4 (0.39) VCAM1
SCHEMBL8767368 0.76 PPARG (0.42)
SCHEMBL8921601 0.75 PPARA (0.46) MAPT
SCHEMBL9234356 0.74 MAPT (0.34) TDP1MAPT
SCHEMBL9234359 0.73 POLB (0.34) MAPT
SCHEMBL8834137 0.73 MAPT (0.57) VCAM1TDP1ALOX15HPNMAPT
SCHEMBL9014507 0.71 HMGCR (0.33)
SCHEMBL9014641 0.68
SCHEMBL9441416 0.66 ALDH1A1 (0.48) VCAM1TDP1ALOX15HPNMAPT
SCHEMBL8768079 0.65 PPARG (0.46) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0621255-B1 Substituted phenoxy-isobutyric acids and esters ADIR (FR) 1997-08-20 EP disclosed
US-5627205-A ANTILIPEMIC AGENTS AND ANTIOXIDANTS ADIR ET COMPAGNIE (FR) 1997-05-06 US disclosed
US-5512595-A FOR SUPPRESSION OF MEMBRANE LIPID PEROXIDATION, ANTILIPEMIC AGENTS ADIR ET COMPAGNIE (FR) 1996-04-30 US disclosed
EP-0621255-A1 Substituted phenoxy-isobutyric acids and esters ADIR ET COMPAGNIE (FR) 1994-10-26 EP disclosed