SCHEMBL9229347

SCHEMBL9229347

Cc1cc(=O)oc2cc(OCCO)c(OCCO)cc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.60
ALDH1A1 P00352 11/20 0.60
HPGD P15428 9/20 0.60
HSD17B10 Q99714 7/20 0.60
GAA P10253 4/20 0.60
GLA P06280 3/20 0.60
CASP1 P29466 2/20 0.60
CASP7 P55210 2/20 0.60
MAPT P10636 2/20 0.60
HSP90AA1 P07900 1/20 0.60
HSP90AB1 P08238 1/20 0.60
ALPG P10696 1/20 0.60
ALOX15 P16050 1/20 0.60
ALOX12 P18054 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 1/20 0.56
MCL1 Q07820 4/20 0.53
AKR1B1 P15121 2/20 0.53
CYP3A4 P08684 1/20 0.53

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
SCHEMBL8808189 0.88 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL9223153 0.85 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL9221587 0.85 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL591362 0.83 KDM4E (0.78) KDM4EALDH1A1HPGDHSD17B10GAA
Oxamarin SCHEMBL628427 0.80 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL9367076 0.80 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL12475243 0.79 ALDH1A1 (0.72) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL6589340 0.79 MAOB (0.68) KDM4EALDH1A1HPGDHSD17B10GAA
Oxamarin SCHEMBL30398534 0.79 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10GAA
Oxamarin SCHEMBL635068 0.79 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5439828-A Fluorgenic and chomogenic three-dimensional ionophores as selective reagents for detecting ions in biological fluids ALLIEDSIGNAL INC. (US) 1995-08-08 US disclosed
EP-0371992-B1 IONOPHORES AS REAGENTS FOR DETECTING IONS ALLIED SIGNAL INC (US) 1995-05-17 EP disclosed
US-5162525-A FLUOROGENIC AND CHROMOGENIC THREE-DIMENSIONAL IONOPHORES AS SELECTIVE REAGENTS FOR DETECTING IONS IN BIOLOGICAL FLUIDS ALLIED-SIGNAL INC. (US) 1992-11-10 US disclosed
EP-0371992-A1 IONOPHORES AS REAGENTS FOR DETECTING IONS. ALLIED SIGNAL INC (US) 1990-06-13 EP disclosed
WO-1989000997-A1 IONOPHORES AS REAGENTS FOR DETECTING IONS ALLIED-SIGNAL INC. (US) 1989-02-09 WO disclosed
EP-0031202-B1 NEW POLYESTER COMPOSITIONS; SHAPED ARTICLES OBTAINED FROM THEM AND PROCESSES FOR PREPARING THEM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-10-03 EP disclosed
US-4347350-A Polyester compositions containing residues of dihydroxyalkoxy coumarins IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-08-31 US disclosed
EP-0031202-A2 New polyester compositions; shaped articles obtained from them and processes for preparing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-07-01 EP disclosed