SCHEMBL7400616

SCHEMBL7400616

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

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.48
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC1A3 P43003 2/20 0.37
SLC1A2 P43004 2/20 0.37
SLC1A1 P43005 2/20 0.37
GRIK1 P39086 1/20 0.33
USP2 O75604 1/20 0.30
SLCO1B1 Q9Y6L6 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
Hydrochloric Acid SCHEMBL3471978 0.98 SLC7A5 (0.46) SLC7A5ALDH1A1MAPTPTGS1SLC1A3
SCHEMBL4441664 0.83 SLC7A5 (0.55) SLC7A5ALDH1A1MAPTPTGS1SLC1A3
SCHEMBL3891579 0.83 SLC7A5 (0.55) SLC7A5ALDH1A1MAPTPTGS1SLC1A3
Methane SCHEMBL2033946 0.81 SLC7A5 (0.52) SLC7A5ALDH1A1MAPTPTGS1SLC1A3
Methane SCHEMBL2032537 0.81 SLC7A5 (0.52) SLC7A5ALDH1A1MAPTPTGS1SLC1A3
SCHEMBL5570261 0.79 SLC7A5 (0.33) SLC7A5ALDH1A1MAPTPTGS1
SCHEMBL5573450 0.78 SLC7A5 (0.32) SLC7A5
SCHEMBL1604917 0.74 ALDH1A1 (0.39) SLC7A5ALDH1A1MAPTPTGS1
SCHEMBL6974551 0.73 SLC7A5 (0.48) SLC7A5ALDH1A1MAPTPTGS1SLC1A3
SCHEMBL318356 0.73 SLC7A5 (0.48) SLC7A5ALDH1A1MAPTPTGS1SLC1A3

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-0581789-A1 NOVEL 2-SPIROCYCLOPROPYL CEPHALOSPORIN SULFONE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF SYNPHAR LABORATORIES INC. (CA) 1994-02-09 EP disclosed
WO-1992018474-A2 NOVEL 2-SPIROCYCLOPROPYL CEPHALOSPORIN SULFONE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF SYNPHAR LABORATORIES, INC. (CA) 1992-10-29 WO disclosed