SCHEMBL8072535

SCHEMBL8072535

CC/C=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 2/20 0.58
GABBR1 Q9UBS5 2/20 0.58
PTGS1 P23219 4/20 0.56
PTGS2 P35354 4/20 0.56
HTT P42858 1/20 0.52
ALOX5 P09917 2/20 0.50
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
CA2 P00918 2/20 0.48
CA1 P00915 1/20 0.48
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
RGS12 O14924 1/20 0.47
NPC1 O15118 1/20 0.47
GMNN O75496 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
GLA P06280 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL8072537 1.00 GABBR2 (0.58) GABBR2GABBR1PTGS1PTGS2HTT
SCHEMBL31375211 0.85 GABBR2 (0.58) GABBR2GABBR1PTGS1PTGS2HTT
SCHEMBL1821480 0.83 PTGS1 (0.74) GABBR2GABBR1PTGS1PTGS2HTT
SCHEMBL1821479 0.83 PTGS1 (0.74) GABBR2GABBR1PTGS1PTGS2HTT
SCHEMBL9307857 0.83 GABBR2 (0.56) GABBR2GABBR1PTGS1PTGS2HTT
SCHEMBL9307852 0.83 GABBR2 (0.56) GABBR2GABBR1PTGS1PTGS2HTT
SCHEMBL9727016 0.82 HTT (0.57) GABBR2GABBR1PTGS1PTGS2HTT
SCHEMBL4565953 0.81 GABBR2 (0.50) GABBR2GABBR1PTGS1PTGS2HTT
SCHEMBL4565952 0.81 GABBR2 (0.50) GABBR2GABBR1PTGS1PTGS2HTT
SCHEMBL11468190 0.80 GABBR2 (0.53) GABBR2GABBR1PTGS1PTGS2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6166161-A Incorporation of functionalized comonomers in polyolefins THE DOW CHEMICAL COMPANY (US) 2000-12-26 US disclosed
WO-1997049738-A1 INCORPORATION OF FUNCTIONALIZED COMONOMERS IN POLYOLEFINS THE DOW CHEMICAL COMPANY (US) 1997-12-31 WO disclosed