SCHEMBL13840367

SCHEMBL13840367

Oc1ccc(C2COc3ccccc3C2)cc1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 7/20 0.56
ALOX12 P18054 6/20 0.56
ALOX15B O15296 3/20 0.56
ESR1 P03372 1/20 0.54
ESR2 Q92731 1/20 0.54
TTR P02766 1/20 0.54
NISCH Q9Y2I1 1/20 0.46
PTPN1 P18031 1/20 0.45
ALOX5 P09917 1/20 0.45
KDM4E B2RXH2 2/20 0.45
CYP3A4 P08684 2/20 0.45
HSD17B10 Q99714 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
QDPR P09417 2/20 0.43
RARA P10276 1/20 0.40
RARB P10826 1/20 0.40
RARG P13631 1/20 0.40
ROCK2 O75116 1/20 0.39

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
SCHEMBL31527834 0.84 ALOX15 (0.53) ALOX15ALOX12ALOX15BESR1ESR2
SCHEMBL27183326 0.84 ALOX15 (0.53) ALOX15ALOX12ALOX15BESR1ESR2
SCHEMBL30873037 0.84 ALOX15 (0.53) ALOX15ALOX12ALOX15BESR1ESR2
SCHEMBL17938800 0.84 ESR1 (0.78) ALOX15ALOX12ALOX15BESR1ESR2
SCHEMBL30912699 0.84 ESR1 (0.78) ALOX15ALOX12ALOX15BESR1ESR2
SCHEMBL30217572 0.84 ESR1 (0.78) ALOX15ALOX12ALOX15BESR1ESR2
SCHEMBL7531682 0.83 ESR2 (0.71) ALOX15ALOX12ALOX15BESR1ESR2
SCHEMBL29149123 0.81 ALOX15 (0.47) ALOX15ALOX12ALOX15BESR1ESR2
SCHEMBL19560169 0.79 ALOX15B (0.55) ALOX15ALOX12ALOX15BESR1ESR2
SCHEMBL577507 0.79 NISCH (0.54) ALOX15ALOX12ALOX15BESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531646-B2 β-D-ribosidase activity indicators with a chromogenic substrate BURTON MICHAEL 2009-05-12 US disclosed
US-7531646-B2 β-D-ribosidase activity indicators with a chromogenic substrate BURTON MICHAEL 2009-05-12 US disclosed
EP-1438423-B1 ENZYME ACTIVITY INDICATORS BURTON MICHAEL (GB) 2007-12-12 EP disclosed