SCHEMBL9768101

SCHEMBL9768101

CN(CC(O)c1ccc(O)c(O)c1)C1CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
TDP1 Q9NUW8 8/20 0.49
ADRB2 P07550 8/20 0.49
KDM4E B2RXH2 8/20 0.49
ADRB1 P08588 5/20 0.49
HSD17B10 Q99714 5/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
ADRB3 P13945 4/20 0.49
MAPK1 P28482 4/20 0.49
TSHR P16473 4/20 0.49
RECQL P46063 3/20 0.49
APEX1 P27695 3/20 0.49
CYP3A4 P08684 3/20 0.49
ADORA3 P0DMS8 3/20 0.49
DRD2 P14416 3/20 0.49
ADRA1D P25100 3/20 0.49
ADRA1A P35348 3/20 0.49
ADRA1B P35368 3/20 0.49
MTOR P42345 3/20 0.49

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
SCHEMBL521780 0.80 MAPT (0.58) MAPTTDP1ADRB2KDM4EADRB1
SCHEMBL521779 0.80 MAPT (0.58) MAPTTDP1ADRB2KDM4EADRB1
SCHEMBL17053665 0.78 MAPT (0.56) MAPTTDP1ADRB2KDM4EADRB1
SCHEMBL27817748 0.78 PPARG (0.47) MAPTKDM4EHSD17B10MEN1KMT2A
SCHEMBL25259285 0.76 KDM4E (0.50) ADRB2KDM4EADRB1MEN1KMT2A
SCHEMBL31068698 0.76 KDM4E (0.50) ADRB2KDM4EADRB1MEN1KMT2A
SCHEMBL22971597 0.76 MAPT (0.54) MAPTTDP1ADRB2KDM4EADRB1
SCHEMBL25100809 0.76 TDP1 (0.53) MAPTTDP1ADRB2KDM4EADRB1
SCHEMBL328574 0.74 TDP1 (0.51) MAPTTDP1ADRB2KDM4EADRB1
SCHEMBL31392613 0.73 RAD52 (0.60) MAPTTDP1ADRB2KDM4EADRB1

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-5047592-A Selective hydrogenolysis process ETHYL CORPORATION (US) 1991-09-10 US disclosed