SCHEMBL9580100

SCHEMBL9580100

COC(CN)c1ccc(O)c(O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 8/20 0.56
KDM4E B2RXH2 8/20 0.56
RECQL P46063 7/20 0.56
BLM P54132 6/20 0.56
MAPT P10636 6/20 0.56
LMNA P02545 4/20 0.56
APEX1 P27695 3/20 0.56
MAPK1 P28482 3/20 0.56
HPGD P15428 2/20 0.56
KMT2A Q03164 2/20 0.56
ADRB2 P07550 2/20 0.56
ADRB1 P08588 2/20 0.56
ADRA2A P08913 2/20 0.56
ADRA2B P18089 2/20 0.56
ADRA2C P18825 2/20 0.56
ADRA1D P25100 2/20 0.56
MEN1 O00255 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
ADRB3 P13945 1/20 0.56
DRD2 P14416 1/20 0.56

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
Hydrochloric Acid SCHEMBL30252423 0.98 KDM4E (0.55) TDP1KDM4ERECQLBLMMAPT
SCHEMBL6344155 0.83 BCHE (0.47) TDP1KDM4ERECQLBLMMAPT
SCHEMBL28957735 0.83 TDP1 (0.50) TDP1KDM4ERECQLBLMMAPT
SCHEMBL13715489 0.79 TDP1 (0.62) TDP1KDM4ERECQLBLMMAPT
SCHEMBL30849924 0.79 TDP1 (0.62) TDP1KDM4ERECQLBLMMAPT
SCHEMBL22971740 0.79 TDP1 (0.62) TDP1KDM4ERECQLBLMMAPT
SCHEMBL4258311 0.79 TAAR1 (0.52) TDP1KDM4EBLMMAPTLMNA
SCHEMBL13569326 0.79 TAAR1 (0.52) TDP1KDM4EBLMMAPTLMNA
SCHEMBL4258315 0.79 TAAR1 (0.52) TDP1KDM4EBLMMAPTLMNA
SCHEMBL12610447 0.77 TDP1 (0.51) TDP1KDM4ERECQLBLMMAPT

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-5252628-A Blends with melanin pigments LIONS EYE INSTITUTE OF WESTERN AUSTRALIA, INC. 1993-10-12 US disclosed