SCHEMBL18133136

SCHEMBL18133136

CC(CO)OC(O)[C@H](C)N

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
TRPV1 Q8NER1 1/20 0.32
TRPA1 O75762 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL14679753 0.79 TDP1 (0.40) TDP1TSHR
SCHEMBL18817804 0.79 TDP1 (0.40) TDP1TSHR
SCHEMBL9537866 0.79 TDP1 (0.40) TDP1TSHR
SCHEMBL13719184 0.77 TDP1 (0.38) TDP1TSHR
SCHEMBL14391622 0.77 TDP1 (0.38) TDP1TSHR
SCHEMBL10082714 0.77 TDP1 (0.38) TDP1TSHR
SCHEMBL14363639 0.75 TDP1 (0.36) TDP1TSHR
SCHEMBL14089068 0.75 TDP1 (0.36) TDP1TSHR
SCHEMBL16152052 0.75 TRPV1 (0.33) TDP1TRPV1TRPA1
SCHEMBL16383894 0.75 TRPV1 (0.33) TDP1TRPV1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2664333-B1 POLYMERIC IRON CHELATING AGENT DISEASE ADSORPTION SYSTEM TECHNOLOGIES CO LTD (JP) 2016-10-12 EP disclosed