SCHEMBL9717857

SCHEMBL9717857

c1coc(COOP(OOCc2ccco2)OOCc2ccco2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
GAA P10253 1/20 0.46
CHRM2 P08172 1/20 0.40
MAPT P10636 2/20 0.40
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
TDP1 Q9NUW8 3/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 2/20 0.37
CYP2D6 P10635 1/20 0.36
EPHX2 P34913 3/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
ALOX5 P09917 1/20 0.34
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL11749020 0.87 ALDH1A1 (0.57) ALDH1A1GAACHRM2MAPTSLC1A3
SCHEMBL9717860 0.84 ALDH1A1 (0.49) ALDH1A1GAACHRM2MAPTSLC1A3
SCHEMBL10985147 0.78 ALDH1A1 (0.50) ALDH1A1GAACHRM2MAPTSLC1A3
SCHEMBL28521894 0.78 ALDH1A1 (0.55) ALDH1A1GAACHRM2MAPTSLC1A3
SCHEMBL12417061 0.77
SCHEMBL14893122 0.75 ALDH1A1 (0.47) ALDH1A1GAAMAPTSLC1A3SLC1A2
SCHEMBL891457 0.75 ALDH1A1 (0.55) ALDH1A1GAACHRM2MAPTSLC1A3
SCHEMBL25188015 0.73 ALDH1A1 (0.50) ALDH1A1GAAMAPTSLC1A3SLC1A2
SCHEMBL10485701 0.73 ALDH1A1 (0.53) ALDH1A1GAACHRM2MAPTSLC1A3
SCHEMBL10944712 0.72 ALDH1A1 (0.49) ALDH1A1GAACHRM2MAPTSLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0253766-B1 STABILIZED OLEFIN POLYMER INSULATING COMPOSITIONS CIBA-GEIGY AG (CH) 1992-03-11 EP disclosed
EP-0252878-B1 VOLTAGE STABILIZED POLYOLEFIN COMPOSITIONS AND SILICONE-GLYCOL DERIVATIVES SUITABLE THEREFOR CIBA-GEIGY AG (CH) 1990-11-22 EP disclosed
US-4724248-A POLYDIALKYLSILOXANEPOLYOXYALKYLENE BLOCK AND/OR GRAFT COPOLYMERS CIBA-GEIGY CORPORATION (US) 1988-02-09 US disclosed
EP-0253766-A2 Stabilized olefin polymer insulating compositions CIBA-GEIGY AG (CH) 1988-01-20 EP disclosed
EP-0252878-A1 Voltage stabilized polyolefin compositions and silicone-glycol derivatives suitable therefor CIBA-GEIGY AG (CH) 1988-01-13 EP disclosed
US-4689362-A POLYSILOXANE POLYOXYALKYLENE BLOCK OR GRAFT COPOLYMERS AS STABILIZERS CIBA-GEIGY CORPORATION (US) 1987-08-25 US disclosed