SCHEMBL2136221

SCHEMBL2136221

C=COC(=O)CCc1cc(C(C)(C)C)c(O)cc1C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
ALOX15 P16050 4/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
ATP2A2 P16615 1/20 0.42
ATP2A3 Q93084 1/20 0.42
TP53 P04637 2/20 0.37
CYP3A4 P08684 2/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 1/20 0.37
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
ESRRA P11474 1/20 0.31
VCAM1 P19320 2/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
HIF1A Q16665 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
SCHEMBL10691039 0.86 GAA (0.48) GAAALOX15ALDH1A1SMN1; SMN2KDM4E
SCHEMBL3465052 0.82 GAA (0.54) GAAALOX15ALDH1A1SMN1; SMN2KDM4E
SCHEMBL6767978 0.79 GAA (0.51) GAAALOX15ALDH1A1SMN1; SMN2KDM4E
SCHEMBL10704454 0.78 GAA (0.50) GAAALOX15ALDH1A1SMN1; SMN2KDM4E
SCHEMBL692695 0.77 GAA (0.58) GAAALOX15ALDH1A1SMN1; SMN2KDM4E
SCHEMBL1500632 0.77 GAA (0.55) GAAALOX15ALDH1A1SMN1; SMN2KDM4E
SCHEMBL7691047 0.75 GAA (0.56) GAAALOX15ALDH1A1SMN1; SMN2KDM4E
SCHEMBL28930455 0.75 GAA (0.41) GAAALOX15ALDH1A1LMNAHSP90AA1
SCHEMBL6712918 0.74 GAA (0.46) GAAALDH1A1
SCHEMBL10749478 0.74 GAA (0.46) GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150191607-A1 Anti-fouling Paints and Coatings REACTIVE SURFACES, LTD (US) 2015-07-09 US disclosed
US-20140196631-A1 VISUAL ASSAYS FOR COATINGS INCORPORATING BIOACTIVE ENZYMES FOR CATALYTIC FUNCTIONS REACTIVE SURFACE, LTD. (US) 2014-07-17 US disclosed
US-20120097194-A1 Polymeric Coatings Incorporating Bioactive Enzymes for Catalytic Function REACTIVE SURFACES, LTD. (US) 2012-04-26 US disclosed
US-20110250626-A1 Visual Assays for Coatings Incorporating Bioactive Enzymes for Catalytic Functions REACTIVE SURFACES, LTD. (US) 2011-10-13 US disclosed
US-20110240064-A1 Polymeric Coatings Incorporating Bioactive Enzymes for Cleaning a Surface REACTIVE SURFACES, LTD. (US) 2011-10-06 US disclosed
US-20100210745-A1 Molecular Healing of Polymeric Materials, Coatings, Plastics, Elastomers, Composites, Laminates, Adhesives, and Sealants by Active Enzymes REACTIVE SURFACES, LTD. (US) 2010-08-19 US disclosed