SCHEMBL6830292

SCHEMBL6830292

COc1ccccc1Oc1ccc(O)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.79
ALDH1A1 P00352 2/20 0.79
MAPK1 P28482 1/20 0.79
L3MBTL1 Q9Y468 1/20 0.79
LTA4H P09960 2/20 0.59
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
NR1H2 P55055 1/20 0.56
BAX Q07812 1/20 0.56
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA12 O43570 1/20 0.54
CA4 P22748 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
RAB9A P51151 1/20 0.53
ESR2 Q92731 2/20 0.52
ESR1 P03372 1/20 0.52
TSHR P16473 2/20 0.50

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
Phenol SCHEMBL28301220 0.90 HTT (0.69) HTTALDH1A1MAPK1L3MBTL1LTA4H
SCHEMBL3627857 0.89 HTT (1.00) HTTALDH1A1MAPK1L3MBTL1LTA4H
SCHEMBL4211500 0.89 LTA4H (0.68) HTTALDH1A1MAPK1L3MBTL1LTA4H
SCHEMBL9483870 0.87 LTA4H (0.73) HTTALDH1A1MAPK1L3MBTL1LTA4H
SCHEMBL14191209 0.85 ALDH1A1 (0.91) HTTALDH1A1MAPK1L3MBTL1LTA4H
SCHEMBL9588305 0.85 LTA4H (0.77) HTTALDH1A1MAPK1L3MBTL1LTA4H
SCHEMBL791852 0.82 HTT (0.86) HTTALDH1A1MAPK1L3MBTL1LTA4H
SCHEMBL9623896 0.82 LTA4H (0.57) HTTALDH1A1MAPK1L3MBTL1LTA4H
SCHEMBL29377831 0.81 HTT (0.83) HTTALDH1A1MAPK1L3MBTL1LTA4H
SCHEMBL6444082 0.81 HTT (0.83) HTTALDH1A1MAPK1L3MBTL1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6790868-B2 REDUCING THE PRESENCE OF MICROORGANISMS ON A SUBSTRATE OR IN A FLUID ENVIRONMENT WARNER-LAMBERT COMPANY 2004-09-14 US disclosed