SCHEMBL8105424

SCHEMBL8105424

Cc1cc(OCCN)c(C)c(C)c1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTR1A P08908 4/20 0.44
ADRA1D P25100 4/20 0.44
ADRA1A P35348 4/20 0.44
ADRA1B P35368 4/20 0.44
PTPN1 P18031 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LTA4H P09960 1/20 0.41
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
TSHR P16473 1/20 0.39
AOC3 Q16853 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL1539870 0.88 MAPT (0.59) MAPK1MAPTTDP1L3MBTL1HPGD
SCHEMBL8105002 0.79 PTPN1 (0.50) MAPK1MAPTTDP1L3MBTL1HPGD
SCHEMBL5957736 0.78 PTPN1 (0.52) L3MBTL1HPGDSMN1; SMN2PTPN1POLB
SCHEMBL9702017 0.77 PPARA (0.55) TDP1SMN1; SMN2ADRA1APTPN1TSHR
SCHEMBL16075023 0.76 MAPT (0.54) MAPK1MAPTTDP1L3MBTL1HPGD
SCHEMBL7141620 0.76 KDM4E (0.69) MAPK1MAPTTDP1L3MBTL1HPGD
SCHEMBL5957872 0.75 LMNA (0.51) MAPK1MAPTTDP1L3MBTL1HPGD
SCHEMBL24968079 0.75 L3MBTL1 (0.63) MAPK1MAPTTDP1L3MBTL1HPGD
SCHEMBL24372040 0.74 MAOB (0.51) MAPK1MAPTTDP1L3MBTL1HPGD
SCHEMBL8114284 0.74 MEN1 (0.61) MAPTHPGDSMN1; SMN2PTPN1POLB

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-1027335-A1 ORTHO-HYDROXYPYRIDINONE DERIVATIVES AS IRON CHELATING AND ANTIOXIDANT AGENTS Cerebrus Pharmaceuticals Limited (GB) 2000-08-16 EP disclosed
WO-1999023075-A1 ORTHO-HYDROXYPYRIDINONE DERIVATIVES AS IRON CHELATING AND ANTIOXIDANT AGENTS CEREBRUS PHARMACEUTICALS LIMITED (GB) 1999-05-14 WO disclosed