SCHEMBL30922372

SCHEMBL30922372

CC(NCCN)C(=O)O.[Na].[Zn]

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.46
GGT1 P19440 1/20 0.43
CPB2 Q96IY4 6/20 0.39
MME P08473 2/20 0.37
CPB1 P15086 1/20 0.36
ALDH1A1 P00352 1/20 0.35
THRB P10828 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ACE P12821 1/20 0.32
CPA1 P15085 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
FOLH1 Q04609 1/20 0.32
NAALAD2 Q9Y3Q0 1/20 0.32

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
SCHEMBL29941227 0.98 GABRR1 (0.48) GABRR1GGT1CPB2MMECPB1
SCHEMBL30922373 0.96 GABRR1 (0.46) GABRR1GGT1CPB2MMECPB1
Magnesium SCHEMBL30922377 0.96 GABRR1 (0.46) GABRR1GGT1CPB2MMECPB1
SCHEMBL601790 0.96
SCHEMBL164972 0.96
SCHEMBL15453401 0.96
SCHEMBL6314393 0.93 GABRR1 (0.48) GABRR1GGT1CPB2MMECPB1
Hydrochloric Acid SCHEMBL29390190 0.93 GABRR1 (0.48) GABRR1GGT1CPB2MMECPB1
SCHEMBL28523224 0.84 GABRR1 (0.41) GABRR1GGT1CPB2MMECPB1
SCHEMBL28523225 0.84 GABRR1 (0.41) GABRR1GGT1CPB2MMECPB1

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
CN-117756159-A Method for preparing layered calcium sulfate by using phosphogypsum 贵州省材料产业技术研究院 2024-03-26 CN claimed
CN-117756159-A Method for preparing layered calcium sulfate by using phosphogypsum 贵州省材料产业技术研究院 2024-03-26 CN disclosed