SCHEMBL7915898

SCHEMBL7915898

CC(=O)OC(=O)C(N)CS.[MgH2]

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.44
SLC7A11 Q9UPY5 1/20 0.44
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
ENPEP Q07075 6/20 0.32
HSD17B10 Q99714 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.32
ANPEP P15144 2/20 0.30
CPB2 Q96IY4 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
SCHEMBL28292361 0.98 PTGS1 (0.46) PTGS1SLC7A11ALDH1A1TSHRENPEP
SCHEMBL75414 0.98 PTGS1 (0.46) PTGS1SLC7A11ALDH1A1TSHRENPEP
SCHEMBL20840684 0.96 PTGS1 (0.44) PTGS1SLC7A11ALDH1A1TSHRENPEP
SCHEMBL8658128 0.96 PTGS1 (0.44) PTGS1SLC7A11ALDH1A1TSHRENPEP
Hydrochloric Acid SCHEMBL6112873 0.96 PTGS1 (0.44) PTGS1SLC7A11ALDH1A1TSHRENPEP
SCHEMBL7855883 0.96 PTGS1 (0.44) PTGS1SLC7A11ALDH1A1TSHRENPEP
Ammonia Solution, Strong SCHEMBL6244291 0.96 PTGS1 (0.44) PTGS1SLC7A11ALDH1A1TSHRENPEP
SCHEMBL1964879 0.84 PTGS1 (0.55) PTGS1SLC7A11ENPEPANPEPCPB2
SCHEMBL20657045 0.84 PTGS1 (0.55) PTGS1SLC7A11ENPEPANPEPCPB2
Hydrochloric Acid SCHEMBL11053789 0.81 PTGS1 (0.52) PTGS1SLC7A11ENPEPANPEP

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
US-6207190-B1 SYNERGISTIC MIXTURE TO REDUCE OCULAR PRESSURE AND IMPROVE VASCULAR HEALTH COMPRISING FOLIC ACID, A MAGNESIUM SALT, ALPHA-TOCOPHEROL, ASCORBATE AND ALPHA-LIPOIC ACID CHRONORX, LLC 2001-03-27 US claimed