SCHEMBL13407150

SCHEMBL13407150

CC(C)(C)c1cc(/C=C\NC(=O)/C=C\c2ccc(O)cc2)cc(C(C)(C)C)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABBR2 O75899 2/20 0.54
▸ GABBR1 Q9UBS5 2/20 0.54
▸ PTGS2 P35354 3/20 0.52
▸ PTGS1 P23219 2/20 0.52
▸ TNFRSF1A P19438 1/20 0.49
▸ MAOB P27338 6/20 0.47
▸ MAOA P21397 4/20 0.47
▸ MMP1 P03956 4/20 0.47
▸ MMP2 P08253 4/20 0.47
▸ MMP9 P14780 4/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ HDAC11 Q96DB2 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ HDAC9 Q9UKV0 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
SCHEMBL8567993 0.82 GABBR2 (0.66) GABBR2GABBR1PTGS2PTGS1TNFRSF1A
SCHEMBL11059147 0.82 GABBR2 (0.66) GABBR2GABBR1PTGS2PTGS1TNFRSF1A
SCHEMBL14529796 0.82 MMP1 (0.63) GABBR2GABBR1MAOAMMP1MMP2
Trans-4,4'-Dihydroxystilbene SCHEMBL11356852 0.81 PTGS2 (0.77) GABBR2GABBR1PTGS2PTGS1MAOB
SCHEMBL9018395 0.79 MMP1 (0.61) TNFRSF1AMAOBMAOAMMP1MMP2
SCHEMBL13764739 0.77 TNFRSF1A (0.65) GABBR2GABBR1TNFRSF1AMAOBMAOA
SCHEMBL8338249 0.77 GABBR2 (0.62) GABBR2GABBR1PTGS2PTGS1TNFRSF1A
SCHEMBL8338252 0.77 GABBR2 (0.62) GABBR2GABBR1PTGS2PTGS1TNFRSF1A
SCHEMBL11707324 0.76 GABBR2 (0.60) GABBR2GABBR1PTGS2PTGS1TNFRSF1A
SCHEMBL4450576 0.75 GABBR2 (0.68) GABBR2GABBR1PTGS2PTGS1TNFRSF1A

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-7705075-B2 Stabilized polyolefin compositions POLNOX CORPORATION (US) 2010-04-27 — — US disclosed
US-20080293856-A1 Stabilized polyolefin compositions POLNOX CORPORATION 2008-11-27 — — US disclosed
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