SCHEMBL8768660

SCHEMBL8768660

CCOCOc1c(C(C)(C)C)cc(OCCO)cc1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NR1I2 O75469 1/20 0.38
ALDH1A1 P00352 3/20 0.37
RECQL P46063 1/20 0.37
LMNA P02545 3/20 0.32
USP2 O75604 2/20 0.32
HSD17B10 Q99714 1/20 0.32
VCAM1 P19320 4/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
KMT2A Q03164 1/20 0.32
SLCO1B3 Q9NPD5 1/20 0.32
SLCO1B1 Q9Y6L6 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
PTGS1 P23219 2/20 0.31
PTGS2 P35354 1/20 0.31
F2R P25116 2/20 0.31

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
SCHEMBL8768656 0.79 VCAM1 (0.36) VCAM1
SCHEMBL8768079 0.78 PPARG (0.46) CYP3A4MEN1KMT2A
SCHEMBL8922447 0.76 PPARA (0.51) CYP3A4
SCHEMBL11586010 0.75 CA2 (0.57) CYP3A4SMN1; SMN2ALDH1A1RECQLLMNA
SCHEMBL9014507 0.73 HMGCR (0.33)
SCHEMBL13130673 0.72 RXRA (0.40) CYP3A4SMN1; SMN2VCAM1CA1CA2
SCHEMBL17565201 0.71 THRB (0.39) MAPK1
SCHEMBL9014641 0.70
SCHEMBL7042602 0.70 CYP3A4 (0.38) CYP3A4SMN1; SMN2ALDH1A1RECQLHSD17B10
SCHEMBL11648290 0.70 CA2 (0.50) CYP3A4SMN1; SMN2ALDH1A1LMNAUSP2

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