SCHEMBL9011776

SCHEMBL9011776

CCOCC(=O)OOC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL2335907 0.88 TSHR (0.33) TSHRALDH1A1HSD17B10TDP1HPGD
SCHEMBL28556120 0.81 MGAM (0.39) TSHRALDH1A1HSD17B10MGAMGAA
SCHEMBL9268162 0.81 CYP2D6 (0.34) TSHRALDH1A1HSD17B10TDP1
SCHEMBL3221380 0.77 TSHR (0.36) TSHRALDH1A1HSD17B10TDP1
SCHEMBL6354943 0.77 TSHR (0.36) TSHRALDH1A1HSD17B10TDP1
SCHEMBL5607205 0.77 ALDH1A1 (0.33) TSHRALDH1A1HSD17B10MGAMGAA
SCHEMBL8529866 0.77 TDP1 (0.39) TSHRALDH1A1HSD17B10TDP1MGAM
SCHEMBL19022477 0.75
SCHEMBL6363623 0.75 MGAM (0.35) TSHRALDH1A1HSD17B10MGAMGAA
SCHEMBL11126370 0.74 TSHR (0.41) TSHRALDH1A1HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0668216-B1 Method for the production of a plastic tube and tube thus obtained TUBEX GMBH (DE) 1996-11-27 EP disclosed
US-5482995-A RADICAL GRAFTING OF UNSATURATED MONOMER ONTO POLYAMIDE-POLYETHER-POLYESTER, THERMOPLASTIC ELASTOMERS ELF ATOCHEM S.A. (FR) 1996-01-09 US disclosed
EP-0668216-A1 Method for the production of a plastic tube and tube thus obtained Tubex GmbH Tuben- und Metallwarenfabrik (DE) 1995-08-23 EP disclosed