SCHEMBL9729402

SCHEMBL9729402

CCNC(CC(=O)O)C(=O)OC(C)CC

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL728628 0.82 MAPT (0.35) MAPT
SCHEMBL730301 0.81 MAPT (0.35) MAPT
SCHEMBL3070182 0.78 MAPT (0.33) MAPT
SCHEMBL728670 0.77 MAPT (0.33) MAPT
SCHEMBL10007006 0.77 MAPT (0.33) MAPT
SCHEMBL16713052 0.76 MAPT (0.32) MAPT
SCHEMBL11865413 0.76 MAPT (0.41) MAPTSLC22A6SMN1; SMN2TDP1
SCHEMBL2229574 0.74 SMN1; SMN2 (0.43) MAPTSLC22A6SMN1; SMN2
SCHEMBL11131045 0.73 CA2 (0.42) SMN1; SMN2TDP1
SCHEMBL5489086 0.73 CA2 (0.42) SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5093486-A Side effect reduction AKZO N.V. (NL) 1992-03-03 US disclosed
US-4981959-A Modified cellulose for biocompatible dialysis membranes II and process for preparation thereof AKZO N.V. (NL) 1991-01-01 US disclosed