SCHEMBL8847556

SCHEMBL8847556

CCCCCCCC(O)c1ccc(O)c(O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
TDP1 Q9NUW8 7/20 0.55
ADRB2 P07550 6/20 0.55
KDM4E B2RXH2 6/20 0.55
ADRB1 P08588 5/20 0.55
MAPK1 P28482 5/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
BLM P54132 4/20 0.55
ADRB3 P13945 4/20 0.55
APEX1 P27695 3/20 0.55
RECQL P46063 3/20 0.55
HPGD P15428 3/20 0.55
ADORA3 P0DMS8 3/20 0.55
DRD2 P14416 3/20 0.55
ADRA1D P25100 3/20 0.55
ADRA1A P35348 3/20 0.55
ADRA1B P35368 3/20 0.55
CYP3A4 P08684 3/20 0.55
ADRA2A P08913 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
SCHEMBL8847942 0.98 MAPT (0.56) MAPTTDP1ADRB2KDM4EADRB1
SCHEMBL8848145 0.87 TDP1 (0.60) MAPTTDP1ADRB2KDM4EADRB1
SCHEMBL28315036 0.86 TDP1 (0.44) MAPTTDP1ADRB2KDM4EADRB1
SCHEMBL23920298 0.82 HSD17B10 (0.46) MAPTTDP1ADRB2KDM4EADRB1
SCHEMBL22607288 0.81 ADRB2 (0.57) TDP1ADRB2ADRB1TSHRCYP1A2
SCHEMBL9768151 0.81 ADRB2 (0.63) MAPTTDP1ADRB2KDM4EADRB1
SCHEMBL10727511 0.81 KAT8 (0.58) TDP1ADRB2KDM4EADRB1MEN1
SCHEMBL9768158 0.81 ADRB2 (0.63) MAPTTDP1ADRB2KDM4EADRB1
SCHEMBL1964126 0.81 TDP1 (0.42) MAPTTDP1ADRB2KDM4EADRB1
SCHEMBL29196543 0.80 TDP1 (0.49) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5610169-A Pharmaceutical Composition containing slightly water-soluble drug THE GREEN CROSS CORPORATION (JP) 1997-03-11 US disclosed
US-5462951-A Dissolved in a polyoxyethylene sorbitan fatty acid ester and adsorbed onto a porosity inorganic substance THE GREEN CROSS CORPORATION (JP) 1995-10-31 US disclosed
EP-0448091-A2 Pharmaceutical composition containing slightly water-soluble drug THE GREEN CROSS CORPORATION (JP) 1991-09-25 EP disclosed