SCHEMBL5238525

SCHEMBL5238525

COc1c(OC(=O)O)sc(OC(=O)O)c1OC

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TPMT P51580 5/20 0.35
HSD17B10 Q99714 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
PTPN1 P18031 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
MAPT P10636 1/20 0.31
HTR1A P08908 1/20 0.31
HPGD P15428 1/20 0.31
HTR2C P28335 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 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
SCHEMBL4867747 0.84
SCHEMBL6207825 0.81 HSD17B10 (0.33) HSD17B10KDM4EPTPN1TDP1MAPT
SCHEMBL5071806 0.74
SCHEMBL11039343 0.70 ALDH1A1 (0.31) ALDH1A1MAPTHPGD
SCHEMBL2267207 0.67 HSD17B10 (0.54) TPMTHSD17B10KDM4EALDH1A1PTPN1
SCHEMBL2761037 0.67 CA1 (0.39) TPMTHSD17B10KDM4EALDH1A1PTPN1
SCHEMBL3252712 0.66 LMNA (0.38) ALDH1A1TDP1MAPTHPGD
SCHEMBL5235288 0.65 KDM4E (0.36) HSD17B10KDM4EALDH1A1TDP1
Hydrochloric Acid SCHEMBL11597062 0.65 CA1 (0.38) TPMTHSD17B10KDM4EALDH1A1PTPN1
SCHEMBL5697079 0.65 CA1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575961-B1 METHOD FOR THE DECARBOXYLATION OF DICARBOXYLIC ACIDS SALTIGO GMBH (DE) 2007-06-20 EP disclosed
EP-1575961-A1 METHOD FOR THE DECARBOXYLATION OF DICARBOXYLIC ACIDS Lanxess Deutschland GmbH (DE) 2005-09-21 EP disclosed
EP-1142888-B1 Process for the preparation of Dialcoxythiophenes and Alkylendioxythiophenes BAYER AG (DE) 2004-09-08 EP disclosed
WO-2004055023-A1 METHOD FOR THE DECARBOXYLATION OF DICARBOXYLIC ACIDS LANXESS DEUTSCHLAND GMBH (DE) 2004-07-01 WO disclosed
EP-1142888-A1 Process for the preparation of Dialcoxythiophenes and Alkylendioxythiophenes BAYER AG (DE) 2001-10-10 EP disclosed