SCHEMBL8566839

SCHEMBL8566839

Cn1nnnc1SC(CC(N)C(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RECQL P46063 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GRIA4 P48058 4/20 0.41
GRIA1 P42261 3/20 0.41
GRIA2 P42262 3/20 0.41
GRIA3 P42263 3/20 0.41
ALDH1A1 P00352 6/20 0.40
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC7A5 Q01650 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL8566832 1.00 HSD17B10 (0.44) HSD17B10MAPTRAB9ASMN1; SMN2RECQL
SCHEMBL9241968 0.73 RECQL (0.42) HSD17B10MAPTRAB9ASMN1; SMN2RECQL
SCHEMBL9241954 0.73 RECQL (0.42) HSD17B10MAPTRAB9ASMN1; SMN2RECQL
Hydroxyamine SCHEMBL7465841 0.73 RAB9A (0.41) HSD17B10MAPTRAB9ASMN1; SMN2RECQL
SCHEMBL10670216 0.68 RECQL (0.48) HSD17B10MAPTRAB9ASMN1; SMN2RECQL
SCHEMBL10844670 0.67 RECQL (0.44) HSD17B10MAPTRAB9ASMN1; SMN2RECQL
SCHEMBL5962443 0.65 ALDH1A1 (0.54) HSD17B10MAPTRAB9ASMN1; SMN2RECQL
SCHEMBL28703842 0.65 SLC7A5 (0.54) SLC7A5
SCHEMBL8564937 0.65 GRM2 (0.39) HSD17B10SLC7A5
SCHEMBL8564931 0.65 GRM2 (0.39) HSD17B10SLC7A5

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-5843997-A Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1998-12-01 US disclosed
US-5576323-A CENTRAL NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1996-11-19 US disclosed