SCHEMBL724845

SCHEMBL724845

COC(C(=O)O)C(C)(C(OC)C(=O)O)C(OC)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
ALDH1A1 P00352 3/20 0.35
MAPT P10636 1/20 0.35
PTGS1 P23219 1/20 0.35
TP53 P04637 1/20 0.33
TSHR P16473 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
SCHEMBL26940448 0.86 SLC1A3 (0.37) SLC1A3SLC1A2SLC1A1ALDH1A1MAPT
SCHEMBL637417 0.86 SLC1A3 (0.37) SLC1A3SLC1A2SLC1A1ALDH1A1MAPT
SCHEMBL7783013 0.83 ALDH1A1 (0.36) SLC1A3SLC1A2SLC1A1ALDH1A1MAPT
SCHEMBL9196637 0.78 SLC1A3 (0.36) SLC1A3SLC1A2SLC1A1TP53
SCHEMBL6932001 0.78 SLC1A3 (0.36) SLC1A3SLC1A2SLC1A1TP53
SCHEMBL6931998 0.78 SLC1A3 (0.36) SLC1A3SLC1A2SLC1A1TP53
SCHEMBL28614683 0.78 SLC1A3 (0.37) SLC1A3SLC1A2SLC1A1
SCHEMBL29012924 0.76 SLC1A3 (0.34) SLC1A3SLC1A2SLC1A1
SCHEMBL5527513 0.74 FFAR1 (0.39) SLC1A3SLC1A2SLC1A1
SCHEMBL14530119 0.74 SLC1A3 (0.33) SLC1A3SLC1A2SLC1A1

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
EP-1541700-B1 METHOD OF GRANULATING SINTERING MATERIAL FOR IRON MANUFACTURING NIPPON STEEL CORP (JP) 2012-02-29 EP disclosed
EP-1541700-A1 METHOD OF GRANULATING SINTERING MATERIAL FOR IRON MANUFACTURING NIPPON STEEL CORPORATION (JP) 2005-06-15 EP disclosed