SCHEMBL10352003

SCHEMBL10352003

O=CCC(Cl)c1ccc(O)c(O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 7/20 0.43
KDM4E B2RXH2 7/20 0.43
BLM P54132 6/20 0.43
MAPT P10636 5/20 0.43
RECQL P46063 5/20 0.43
ADRB2 P07550 4/20 0.43
LMNA P02545 4/20 0.43
APEX1 P27695 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
PTGS2 P35354 3/20 0.43
MAPK1 P28482 3/20 0.43
ADRA1A P35348 3/20 0.43
ADRB1 P08588 3/20 0.43
ADRA2A P08913 3/20 0.43
ADRA2B P18089 3/20 0.43
ADRA2C P18825 3/20 0.43
ADRA1D P25100 3/20 0.43
HPGD P15428 2/20 0.43
ADORA3 P0DMS8 2/20 0.43

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
SCHEMBL27001798 0.84 ESR1 (0.39) TDP1PTGS1
SCHEMBL9717088 0.80 ALDH1A1 (0.43) TDP1KDM4EBLMMAPTLMNA
SCHEMBL28528503 0.79 MAPT (0.58) TDP1KDM4EBLMMAPTRECQL
SCHEMBL13395853 0.78 TDP1 (0.47) TDP1KDM4EBLMMAPTRECQL
SCHEMBL28286504 0.75 BLM (0.47) TDP1KDM4EBLMMAPTRECQL
SCHEMBL15973924 0.75 KDM4E (0.43) TDP1KDM4EBLMMAPTRECQL
SCHEMBL7177565 0.73 TSHR (0.32) TDP1MAPK1TSHRL3MBTL1
SCHEMBL6224690 0.72 TSHR (0.43) TDP1BLMADRB2LMNAAPEX1
SCHEMBL4422682 0.72 HTR2A (0.36) KMT2ACYP1A2
SCHEMBL6221926 0.71 IDO1 (0.34) SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0232679-B1 SYNTHETIC ORGANIC POLYMERS FOR THE SELECTIVE FLOCCULATION OF TITANIUM AND IRON ORES CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 1990-07-25 EP disclosed
US-4698171-A Synthetic organic polymers for the selective flocculation of titanium and iron ores CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 1987-10-06 US disclosed