SCHEMBL7707533

SCHEMBL7707533

CCC(=O)OC(=O)C(C)S

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.37
ALDH1A1 P00352 7/20 0.35
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
SOAT1 P35610 1/20 0.35
HIF1A Q16665 2/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
WRN Q14191 1/20 0.33
LMNA P02545 4/20 0.32
TDP1 Q9NUW8 3/20 0.32
MAPT P10636 2/20 0.32
PTGS2 P35354 1/20 0.32
TRPA1 O75762 1/20 0.32
ALOX15 P16050 1/20 0.32
RNPEP Q9H4A4 1/20 0.31

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
SCHEMBL9420755 0.83 TSHR (0.44) ALDH1A1LMNATDP1MAPTPTGS2
SCHEMBL1443592 0.81 LMNA (0.30) ALDH1A1CYP1A2LMNATDP1MAPT
SCHEMBL5142858 0.81 ALDH1A1 (0.33) ALDH1A1SOAT1HIF1AHPGDLMNA
SCHEMBL9579105 0.79
SCHEMBL386957 0.79 NAAA (0.39) NAAAALDH1A1MGAMGAASI
SCHEMBL288874 0.77 NAAA (0.38) NAAAALDH1A1MGAMGAASI
SCHEMBL7704471 0.76 ALDH1A1 (0.35) NAAAALDH1A1MGAMGAASI
SCHEMBL11792511 0.75 NAAA (0.37) NAAAALDH1A1MGAMGAASI
SCHEMBL952341 0.75 ALDH1A1 (0.37) NAAAALDH1A1MGAMGAASI
SCHEMBL10700496 0.75 NAAA (0.37) NAAAALDH1A1MGAMGAASI

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116063639-A Multiblock copolymers and uses thereof 广州立邦涂料有限公司 2023-05-05 CN disclosed
US-6361872-B1 CORROSION RESISTANCE FOR METAL SURFACES WITH MERCAPTO COMPOUNDS AND CURING AGENTS METAL COATINGS INTERNATIONAL INC. 2002-03-26 US disclosed
WO-1999060187-A1 METAL SURFACE TREATMENT AGENTS, METHODS OF TREATING METAL SURFACES AND PRE-COATED STEEL SHEETS DACRAL S.A. (FR) 1999-11-25 WO disclosed