SCHEMBL8067916

SCHEMBL8067916

C1OC1CN1CN(CC2CO2)CN(CC2CO2)C1.C1OCOCO1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
HBB P68871 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 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
SCHEMBL3211746 0.73
SCHEMBL354055 0.73 TP53 (0.48) TP53HBBSMN1; SMN2ALDH1A1TDP1
SCHEMBL336214 0.70 GAA (0.50) TP53HBBSMN1; SMN2ALDH1A1TSHR
SCHEMBL3132991 0.70 GAA (0.50) TP53HBBSMN1; SMN2ALDH1A1TSHR
SCHEMBL13415572 0.70 GAA (0.50) TP53HBBSMN1; SMN2ALDH1A1TSHR
SCHEMBL16232412 0.69 TP53 (0.32) TP53HBBSMN1; SMN2
SCHEMBL335246 0.69
SCHEMBL18718100 0.69 TP53 (0.35) TP53HBBSMN1; SMN2
Hydrochloric Acid SCHEMBL11217328 0.68 GAA (0.49) TP53HBBSMN1; SMN2ALDH1A1TSHR
SCHEMBL19032113 0.68 GAA (0.49) TP53HBBSMN1; SMN2ALDH1A1TSHR

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-0927212-B1 BIODEGRADABLE POLYESTERS BASF AG (DE) 2000-06-28 EP disclosed