SCHEMBL9685326

SCHEMBL9685326

C/C(=C\C(=O)O)c1ccc(CC(C)OS(=O)(=O)c2ccc(C)cc2)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.36
ALDH1A1 P00352 3/20 0.34
HPGD P15428 1/20 0.34
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 2/20 0.32
KMT2A Q03164 1/20 0.32
STAT3 P40763 1/20 0.32
PRSS1 P07477 2/20 0.31
TMPRSS15 P98073 2/20 0.31
PPARG P37231 1/20 0.31
AR P10275 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
RXRA P19793 2/20 0.30
RXRB P28702 1/20 0.30

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
SCHEMBL10726091 1.00 DHODH (0.36) DHODHALDH1A1HPGDPOLBMAPT
SCHEMBL10726039 0.86 DHODH (0.38) DHODHALDH1A1HPGDPOLBMAPT
SCHEMBL9685098 0.86 DHODH (0.38) DHODHALDH1A1HPGDPOLBMAPT
SCHEMBL10731053 0.75 HPGD (0.41) DHODHALDH1A1HPGDPOLBMAPT
SCHEMBL10731065 0.75 HPGD (0.41) DHODHALDH1A1HPGDPOLBMAPT
SCHEMBL9685535 0.74 ALDH1A1 (0.44) ALDH1A1HPGDPOLBMAPTRECQL
SCHEMBL10726013 0.74 ALDH1A1 (0.44) ALDH1A1HPGDPOLBMAPTRECQL
SCHEMBL10725715 0.73 ALDH1A1 (0.43) ALDH1A1HPGDMAPTRECQLBLM
SCHEMBL7436196 0.73 ALDH1A1 (0.43) ALDH1A1HPGDMAPTRECQLBLM
SCHEMBL8322191 0.69 GAA (0.50) ALDH1A1L3MBTL1GAAKMT2AAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5166218-A Antilipemic agents or antiglycemic agents HOFFMANN-LA ROCHE INC. (US) 1992-11-24 US disclosed
US-5064863-A Catabolic activity, obesity, diabetes HOFFMANN-LA ROCHE INC. (US) 1991-11-12 US disclosed
US-4652679-A Aziridine and phenethanolamine derivatives having antiobesity and anti-hyperglycaemic acitivity HOFFMANN-LA ROCHE INC. (US) 1987-03-24 US disclosed
US-4585796-A HYPOGLYCEMIC, ANTI-OBESITY HOFFMANN-LA ROCHE INC. (US) 1986-04-29 US disclosed