SCHEMBL7971675

SCHEMBL7971675

Nc1nnc(SCC(=O)CC(=O)O)s1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
HSD17B10 Q99714 1/20 0.57
MAPT P10636 2/20 0.57
ATM Q13315 1/20 0.52
POLB P06746 4/20 0.50
GAA P10253 3/20 0.50
RAB9A P51151 1/20 0.50
GLA P06280 1/20 0.49
THRB P10828 1/20 0.49
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL5377173 0.86 ALDH1A1 (0.64) ALDH1A1HSD17B10MAPTATMPOLB
SCHEMBL5038420 0.79 ALDH1A1 (0.61) ALDH1A1HSD17B10MAPTATMPOLB
SCHEMBL3547447 0.77 ALDH1A1 (0.64) ALDH1A1HSD17B10MAPTATMPOLB
SCHEMBL13335420 0.73 MAPT (1.00) ALDH1A1HSD17B10MAPTPOLBGAA
SCHEMBL8436040 0.72 GAA (0.74) ALDH1A1HSD17B10POLBGAAHPGD
SCHEMBL999575 0.71 ALDH1A1 (1.00) ALDH1A1HSD17B10MAPTPOLBGAA
SCHEMBL18719836 0.70 ATM (0.97) ALDH1A1HSD17B10MAPTATMRAB9A
SCHEMBL15362563 0.69 ALDH1A1 (0.68) ALDH1A1MAPTGAARAB9ALMNA
SCHEMBL4678070 0.69 ALDH1A1 (0.74) ALDH1A1HSD17B10MAPTATMPOLB
SCHEMBL14582756 0.68 GAA (0.62) ALDH1A1HSD17B10POLBGAARAB9A

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
WO-2001014310-A1 PLEUROMUTILIN β-KETOESTERS SMITHKLINE BEECHAM P.L.C. (GB) 2001-03-01 WO claimed