SCHEMBL469713

SCHEMBL469713

C#CCCc1ccc(O)c(O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.59
IGF1R P08069 3/20 0.59
MAPT P10636 4/20 0.57
KDM4E B2RXH2 4/20 0.57
ALDH1A1 P00352 2/20 0.57
GAA P10253 2/20 0.57
ALOX5 P09917 1/20 0.57
BACE1 P56817 1/20 0.57
DRD2 P14416 3/20 0.55
DRD1 P21728 3/20 0.55
DRD4 P21917 3/20 0.55
DRD5 P21918 3/20 0.55
MAPK1 P28482 3/20 0.55
DRD3 P35462 3/20 0.55
HIF1A Q16665 3/20 0.55
HSD17B10 Q99714 3/20 0.55
ADRA2A P08913 2/20 0.55
SLC6A2 P23975 2/20 0.55
RECQL P46063 2/20 0.55
SLC6A3 Q01959 2/20 0.55

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
SCHEMBL26362017 0.88 ALOX15 (0.67) ALOX15IGF1RMAPTKDM4EALDH1A1
SCHEMBL23601706 0.85 ALOX15 (0.68) ALOX15IGF1RMAPTKDM4EALDH1A1
SCHEMBL28329816 0.79 ADRB2 (0.61) ALOX15IGF1RMAPTKDM4EALDH1A1
SCHEMBL29962610 0.79 ADRB2 (0.61) ALOX15IGF1RMAPTKDM4EALDH1A1
SCHEMBL30631592 0.79 ALOX15 (0.80) ALOX15IGF1RMAPTKDM4EALDH1A1
SCHEMBL107956 0.79 ALOX15 (0.80) ALOX15IGF1RMAPTKDM4EALDH1A1
SCHEMBL1891731 0.79 ALOX15 (0.59) ALOX15IGF1RMAPTKDM4EALDH1A1
SCHEMBL16669112 0.78 CA1 (0.56) ALOX15IGF1RMAPTKDM4EALDH1A1
SCHEMBL12076574 0.78 TAAR1 (0.65) ALDH1A1GAAALOX5MAPK1TDP1
SCHEMBL8431254 0.77 ALOX15 (0.76) ALOX15IGF1RMAPTKDM4EALDH1A1

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-20150114261-A1 HEAT RESISTANCE BIO-ADHESIVES EMPIRE TECHNOLOGY DEVELOPMENT LLC 2015-04-30 US claimed
US-20150114261-A1 HEAT RESISTANCE BIO-ADHESIVES EMPIRE TECHNOLOGY DEVELOPMENT LLC 2015-04-30 US disclosed
WO-2012032085-A1 SYNTHESIS OF TRIVALENT FLEXIBLE FRAMEWORKS WITH LIGANDS COMPRISING CATECHOL UNITS FOR FUNCTIONALIZING SURFACES JUSTUS-LIEBIG-UNIVERSITÄT GIESSEN (DE) 2012-03-15 WO disclosed