SCHEMBL4738804

SCHEMBL4738804

O=C(CCC(=O)C(=O)O)OC(=O)CC(=O)OC(=O)CCC(=O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 2/20 0.48
MAPK1 P28482 1/20 0.48
SLC13A3 Q8WWT9 1/20 0.48
EGLN1 Q9GZT9 1/20 0.48
ALDH1A1 P00352 1/20 0.40
TSHR P16473 2/20 0.38
PRSS1 P07477 1/20 0.34
CTSG P08311 1/20 0.34
CTRB1 P17538 1/20 0.34
CMA1 P23946 1/20 0.34
HAO1 Q9UJM8 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
SCHEMBL3776646 0.92 EGLN1 (0.55) OR51E2MAPK1SLC13A3EGLN1ALDH1A1
SCHEMBL28466483 0.87 ALDH1A1 (0.42) OR51E2MAPK1SLC13A3EGLN1ALDH1A1
SCHEMBL5792150 0.85 OR51E2 (0.48) OR51E2MAPK1SLC13A3EGLN1ALDH1A1
SCHEMBL29011951 0.83 OR51E2 (0.46) OR51E2MAPK1SLC13A3EGLN1ALDH1A1
SCHEMBL28167499 0.83 OR51E2 (0.46) OR51E2MAPK1SLC13A3EGLN1ALDH1A1
SCHEMBL25428238 0.81 OR51E2 (0.44) OR51E2MAPK1SLC13A3EGLN1ALDH1A1
SCHEMBL28754323 0.81 OR51E2 (0.44) OR51E2MAPK1SLC13A3EGLN1ALDH1A1
SCHEMBL21295465 0.81 EGLN1 (0.50) OR51E2MAPK1SLC13A3EGLN1ALDH1A1
SCHEMBL6752506 0.79 EGLN1 (0.54) OR51E2MAPK1SLC13A3EGLN1ALDH1A1
SCHEMBL5633908 0.79 EGLN1 (0.50) OR51E2MAPK1SLC13A3EGLN1ALDH1A1

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-2008091627-A2 METHODS AND ORGANISMS FOR GROWTH-COUPLED PRODUCTION OF 3-HYDROXYPROPIONIC ACID GENOMATICA, INC. (US) 2008-07-31 WO disclosed