SCHEMBL6690950

SCHEMBL6690950

O=C(O)CN(CCOCCN(CC(=O)O)CC(=O)OCCO)CC(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.66
PMP22 Q01453 2/20 0.66
HSD17B10 Q99714 1/20 0.66
CA1 P00915 17/20 0.51
CA2 P00918 17/20 0.51
TDP1 Q9NUW8 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
CHRM2 P08172 1/20 0.48
ADRA2A P08913 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
DRD1 P21728 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
CYP2C19 P33261 1/20 0.48
ADRA1A P35348 1/20 0.48
DRD3 P35462 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48

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
SCHEMBL958878 0.92 BLM (0.56) BLMPMP22HSD17B10CA1CA2
SCHEMBL16089775 0.91 TDP1 (0.60) BLMPMP22HSD17B10CA1CA2
SCHEMBL5850288 0.91 TDP1 (0.60) BLMPMP22HSD17B10CA1CA2
SCHEMBL5852343 0.91 TDP1 (0.60) BLMPMP22HSD17B10CA1CA2
SCHEMBL19064497 0.91 BLM (0.73) BLMPMP22HSD17B10CA1CA2
SCHEMBL28546333 0.89 TDP1 (0.58) BLMPMP22HSD17B10CA1CA2
SCHEMBL18027637 0.88 BLM (0.58) BLMPMP22HSD17B10CA1CA2
SCHEMBL28499962 0.87 CA1 (0.46) BLMPMP22HSD17B10CA1CA2
SCHEMBL3418535 0.87 BLM (0.79) BLMPMP22HSD17B10CA1CA2
Ethylene Glycol SCHEMBL6500129 0.85 BLM (0.83) BLMPMP22HSD17B10CA1CA2

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
WO-2004109256-A2 DEPOSITION AND DETECTION OF ZINC AND OTHER METALS IN SOLUTION CASE WESTERN RESERVE UNIVERSITY (US) 2004-12-16 WO disclosed
US-6525008-B2 Comprising acid solution having pH of 1 to 4 or basic solution having pH of 10 to 14, dispersible abrasive agent, surfactant, organic solvent, water MAN ROLAND DRUCKMASCHINEN AG (DE) 2003-02-25 US disclosed
US-20010008877-A1 Comprising acid solution having pH of 1 to 4 or basic solution having pH of 10 to 14, dispersible abrasive agent, surfactant, organic solvent, water MAN ROLAND DRUCKMASCHINEN AG 2001-07-19 US disclosed
US-5696087-A ADMINISTERING A POLYPEPTIDE OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 1997-12-09 US disclosed
US-5681819-A POLYPEPTIDE CONTAINING ATLEAST 4 ELEVEN AMINO ACID REPEAT HAVING ATLEAST THREE PROLINES PRESENT IN CARBOXY TERMINAL REGION OF HUMAN BILE SALT ACTIVATED LIPASE, THAT BINDS SPECIFIC RECEPTOR ON INTESTINAL CELL OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 1997-10-28 US disclosed
US-4048410-A Environmentally degradable polymer compositions OWENS-ILLINOIS, INC. (US) 1977-09-13 US disclosed