SCHEMBL3846087

SCHEMBL3846087

CC(CNC(CC(=O)O)C(=O)O)NC(CC(=O)O)C(=O)O.O=C(O)CC(NCC(O)CNC(CC(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.35
GABRR1 P24046 2/20 0.34
LMNA P02545 1/20 0.34
MME P08473 2/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33

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
SCHEMBL7611355 0.93 CA2 (0.37) SMN1; SMN2MAPTMMECA2CA4
SCHEMBL2131609 0.93 CA2 (0.37) SMN1; SMN2MAPTMMECA2CA4
SCHEMBL18905040 0.86 SLC22A6 (0.41) SLC22A6SMN1; SMN2MAPTGABRR1LMNA
SCHEMBL2907101 0.86 SLC22A6 (0.52) SLC22A6SMN1; SMN2MAPTGABRR1LMNA
SCHEMBL8769052 0.86 SLC22A6 (0.52) SLC22A6SMN1; SMN2MAPTGABRR1LMNA
SCHEMBL2130208 0.86 SLC22A6 (0.52) SLC22A6SMN1; SMN2MAPTGABRR1LMNA
SCHEMBL8660115 0.79 CA2 (0.37) MAPTMMECA2CA4
SCHEMBL2915366 0.78 CA2 (0.43) SLC22A6SMN1; SMN2MAPTMMECA2
SCHEMBL2915369 0.78 CA2 (0.43) SLC22A6SMN1; SMN2MAPTMMECA2
SCHEMBL21224515 0.78 CA2 (0.41) SMN1; SMN2MMECA2CA4

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-1455850-B1 LAYER MATERIALS TREATED WITH DURABLE ACIDIC ODOR CONTROL/BINDER SYSTEMS KIMBERLY CLARK CO (US) 2009-11-11 EP disclosed