SCHEMBL19246147

SCHEMBL19246147

CCC(O)(CC)CC(C)(CC)C(N)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC1A2 P43004 3/20 0.31
SLC1A1 P43005 3/20 0.31
SLC1A3 P43003 2/20 0.31
GRIK1 P39086 2/20 0.30
GRIK2 Q13002 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
SCHEMBL5288950 0.83 ALDH1A1 (0.52) ALDH1A1MAPTPTGS1SLC1A2SLC1A1
SCHEMBL19246467 0.81 ALDH1A1 (0.42) ALDH1A1MAPTPTGS1SLC1A2SLC1A1
SCHEMBL24015558 0.80 ALDH1A1 (0.45) ALDH1A1MAPTPTGS1SLC1A2SLC1A1
SCHEMBL20663432 0.80 ALDH1A1 (0.40) ALDH1A1MAPTPTGS1SLC1A2SLC1A1
SCHEMBL10443781 0.76 ALDH1A1 (0.45) ALDH1A1MAPTPTGS1SLC1A2SLC1A1
SCHEMBL24932482 0.74 ALDH1A1 (0.36) ALDH1A1MAPTPTGS1
SCHEMBL24932653 0.73 ALDH1A1 (0.35) ALDH1A1MAPTPTGS1
SCHEMBL1237496 0.73 ALDH1A1 (0.50) ALDH1A1MAPTPTGS1SLC1A2SLC1A1
SCHEMBL1237494 0.73 ALDH1A1 (0.50) ALDH1A1MAPTPTGS1SLC1A2SLC1A1
SCHEMBL1769263 0.70 PTGS1 (0.52) ALDH1A1MAPTPTGS1SLC1A2SLC1A1

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-9981908-B2 Amino acid derivatives MEDIMMUNE LIMITED (GB) 2018-05-29 US disclosed
US-9732367-B2 Cell lines MEDIMMUNE LIMITED (GB) 2017-08-15 US disclosed