SCHEMBL5488314

SCHEMBL5488314

CC12OC1Nc1ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.38
PDK4 Q16654 1/20 0.38
ALDH1A1 P00352 4/20 0.36
HTR5A P47898 3/20 0.35
POLB P06746 2/20 0.34
SUV39H1 O43463 1/20 0.33
EHMT2 Q96KQ7 1/20 0.33
BRPF1 P55201 1/20 0.33
CREBBP Q92793 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 2/20 0.33
MAPK1 P28482 1/20 0.33
HTR2A P28223 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
GFER P55789 1/20 0.32

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
SCHEMBL22901475 0.81 PDK2 (0.36) PDK2PDK4ALDH1A1HTR5APOLB
SCHEMBL24519732 0.69 PGR (0.36) PDK2PDK4ALDH1A1HTR5APOLB
SCHEMBL12629401 0.67 PDK2 (0.41) PDK2PDK4ALDH1A1HTR5ABRPF1
SCHEMBL1316216 0.67 PDK2 (0.41) PDK2PDK4ALDH1A1HTR5ABRPF1
Iodide SCHEMBL7543439 0.65 PDK2 (0.39) PDK2PDK4ALDH1A1HTR5ABRPF1
SCHEMBL14677972 0.64 ALDH1A1 (0.34) ALDH1A1POLBBRPF1CREBBPLMNA
SCHEMBL12900962 0.63 PDK2 (0.34) PDK2PDK4ALDH1A1HTR5ASUV39H1
SCHEMBL18862019 0.63 ALDH1A1 (0.55) ALDH1A1HTR5APOLBBRPF1CREBBP
SCHEMBL15587865 0.63 PDK2 (0.41) PDK2PDK4ALDH1A1HTR5AMEN1
SCHEMBL7759529 0.63 BRD4 (0.44) PDK2PDK4ALDH1A1HTR5APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218534-B1 NOVEL ENZYMES AND METABOLITES INVOLVED IN SKATOLE METABOLISM UNIV GUELPH (CA) 2007-07-04 EP disclosed
US-7202035-B2 Genetic markers for skatole metabolism UNIVERSITY OF GUELPH (CA) 2007-04-10 US disclosed
US-20070031837-A1 Genetic markers for skatole metabolism UNIVERSITY OF GUELPH (CA) 2007-02-08 US disclosed
US-20060150263-A1 Novel enzymes and metabolites involved in skatole metabolism UNIVERSITY OF GUELPH (CA) 2006-07-06 US disclosed
EP-1623004-A2 GENETIC MARKERS FOR SKATOLE METABOLISM University of Guelph (CA) 2006-02-08 EP disclosed
WO-2005030924-A2 GENETIC MARKERS FOR SKATOLE METABOLISM UNIVERSITY OF GUELPH (CA) 2005-04-07 WO disclosed
US-20030228614-A1 Genetic markers for skatole metabolism UNIVERSITY OF GUELPH (CA) 2003-12-11 US disclosed
US-20020197663-A1 Novel enzymes and metabolites involved in skatole metabolism UNIVERSITY OF GUELPH (CA) 2002-12-26 US disclosed
US-6448028-B1 METHODS TO IDENTIFY AND REDUCE BOAR TAINT, DUE TO HIGH LEVELS OF EITHER THE 16-ANDROSTENE STEROIDS OR SKATOLE IN FAT, BY MEASURING LEVELS OF METABOLITES UNIVERSITY OF GUELPH (CA) 2002-09-10 US disclosed
EP-1218534-A2 NOVEL ENZYMES AND METABOLITES INVOLVED IN SKATOLE METABOLISM University of Guelph (CA) 2002-07-03 EP disclosed
WO-2001023601-A2 NOVEL ENZYMES AND METABOLITES INVOLVED IN SKATOLE METABOLISM UNIVERSITY OF GUELPH (CA) 2001-04-05 WO disclosed