SCHEMBL7108167

SCHEMBL7108167

NC(=O)C[C@@H](C(=O)O)N(CCO)C(CC(=O)O)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL629344 0.90 TDP1 (0.39) TDP1SMN1; SMN2
SCHEMBL28397889 0.80 BHMT (0.33) TDP1SMN1; SMN2
SCHEMBL16163213 0.80 TDP1 (0.43) TDP1SMN1; SMN2
SCHEMBL8950943 0.79 ALOX15 (0.30)
SCHEMBL8950951 0.77
SCHEMBL7807211 0.76 GABRR1 (0.38) TDP1SMN1; SMN2
SCHEMBL1997913 0.76 GABRR1 (0.38) TDP1SMN1; SMN2
SCHEMBL5319076 0.76 GABRR1 (0.38) TDP1SMN1; SMN2
SCHEMBL8819388 0.76 TDP1 (0.37) TDP1SMN1; SMN2
SCHEMBL23133149 0.76 FOLH1 (0.34)

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-0882151-B1 PROCESS FOR THE TREATMENT OF CHEMICAL PULP KEMIRA CHEMICALS OY (FI) 2003-10-15 EP disclosed
EP-0882151-A1 PROCESS FOR THE TREATMENT OF CHEMICAL PULP KEMIRA CHEMICALS OY (FI) 1998-12-09 EP disclosed
WO-1997030208-A1 PROCESS FOR THE TREATMENT OF CHEMICAL PULP KEMIRA CHEMICALS OY (FI) 1997-08-21 WO disclosed