SCHEMBL4450576

SCHEMBL4450576

CC(C)(C)c1cc(C=CC(=O)CC(=O)C=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABBR2 O75899 2/20 0.68
▸ GABBR1 Q9UBS5 2/20 0.68
▸ BACE1 P56817 1/20 0.54
▸ PTGS1 P23219 4/20 0.53
▸ PTGS2 P35354 3/20 0.53
▸ TNFRSF1A P19438 1/20 0.53
▸ GPR55 Q9Y2T6 1/20 0.51
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ ALOX5 P09917 2/20 0.49
▸ PTGES O14684 1/20 0.49
▸ STAT3 P40763 1/20 0.49
▸ NFE2L2 Q16236 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ APP P05067 1/20 0.48
▸ EEF2K O00418 1/20 0.47
▸ SRC P12931 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ GAA P10253 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
SCHEMBL4450572 1.00 GABBR2 (0.68) GABBR2GABBR1BACE1PTGS1PTGS2
SCHEMBL9219350 0.92 GABBR2 (0.63) GABBR2GABBR1BACE1PTGS1PTGS2
SCHEMBL9219345 0.92 GABBR2 (0.63) GABBR2GABBR1BACE1PTGS1PTGS2
SCHEMBL10031552 0.90 GABBR2 (0.64) GABBR2GABBR1PTGS1PTGS2TNFRSF1A
SCHEMBL24510590 0.86 ALOX5 (0.66) GABBR2GABBR1BACE1PTGS1PTGS2
SCHEMBL9657108 0.85 GABBR2 (0.72) GABBR2GABBR1PTGS1PTGS2TNFRSF1A
SCHEMBL11318945 0.84 GABBR2 (0.57) GABBR2GABBR1PTGS1PTGS2TNFRSF1A
SCHEMBL11059147 0.84 GABBR2 (0.66) GABBR2GABBR1PTGS1PTGS2TNFRSF1A
SCHEMBL8567993 0.84 GABBR2 (0.66) GABBR2GABBR1PTGS1PTGS2TNFRSF1A
SCHEMBL10001228 0.84 GABBR2 (0.75) GABBR2GABBR1PTGS1PTGS2TNFRSF1A

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
US-20130102498-A1 COMPOSITIONS AND METHODS FOR DETECTING AMYLOID-BETA-DEGRADING ENZYME ACTIVITY ACADEMIA SINICA (TW) 2013-04-25 — — US claimed
US-9074238-B2 Methods for enhancing neprilysin activity and degrading amyloid-beta peptides and oligomers in a subject with Alzheimer's disease ACADEMIA SINICA (TW) 2015-07-07 — — US disclosed
US-20130102498-A1 COMPOSITIONS AND METHODS FOR DETECTING AMYLOID-BETA-DEGRADING ENZYME ACTIVITY ACADEMIA SINICA (TW) 2013-04-25 — — US disclosed
US-7521580-B1 Non-cytotoxic synthetic analogues of (1E, 6E)-1, 7-Bis (4-hydroxy-3-methoxyphenyl)-1, 6-heptadiene-3, 5-Dione and therapeutic applications thereof in cystic fibrosis SAMI LABS LTD. (IN) 2009-04-21 — — US disclosed
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