SCHEMBL29623189

SCHEMBL29623189

CC(CO)CO.CC(S)C(=O)O.CC(S)C(=O)O.CC(S)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 2/20 0.44
ACE P12821 1/20 0.40
TDP1 Q9NUW8 3/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
PTGS2 P35354 1/20 0.39
OR51E2 Q9H255 1/20 0.39
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ABCB11 O95342 1/20 0.38
F2 P00734 1/20 0.38
TP53 P04637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 1/20 0.38
DUSP3 P51452 1/20 0.38
PTPN5 P54829 1/20 0.38
PTPN11 Q06124 1/20 0.38

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
Hydrogen Sulfide SCHEMBL27461729 0.85
Propylene Glycol SCHEMBL1171003 0.83 TDP1 (0.56) RNPEPACETDP1ALDH1A1LMNA
SCHEMBL30122645 0.83 RNPEP (0.44) RNPEPACETDP1ALDH1A1LMNA
Ethylene Glycol SCHEMBL28854573 0.82 RNPEP (0.48) RNPEPACETDP1ALDH1A1LMNA
Ethylene Glycol SCHEMBL29686923 0.82 RNPEP (0.48) RNPEPACETDP1ALDH1A1LMNA
Ethylene Glycol SCHEMBL1171441 0.82 RNPEP (0.48) RNPEPACETDP1ALDH1A1LMNA
Alcohol SCHEMBL5477411 0.82
Bicarbonate SCHEMBL6933680 0.82 TSHR (0.45) RNPEPTDP1OR51E2TP53TSHR
SCHEMBL2128694 0.82
SCHEMBL946721 0.82 TDP1 (0.53) RNPEPACETDP1ALDH1A1LMNA

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-110914322-B Polymerizable composition for optical material, and use thereof 三井化学株式会社 2022-08-23 CN disclosed
CN-107428040-B Method for manufacturing plastic lens, method for positioning film, and composite body 株式会社HOPNIC研究所 2022-05-31 CN disclosed