SCHEMBL11530368

SCHEMBL11530368

COCCOCCOCC(=O)NN

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
NAMPT P43490 3/20 0.38
CTSD P07339 2/20 0.37
CA2 P00918 2/20 0.36
AKT1 P31749 1/20 0.35
OGG1 O15527 1/20 0.35
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
CA1 P00915 1/20 0.33
CYP3A4 P08684 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.32
KDM5C P41229 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
ABCB11 O95342 1/20 0.32
ADRA2B P18089 1/20 0.32
OPRD1 P41143 1/20 0.32
SCN5A Q14524 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
SCHEMBL11530576 1.00 GAA (0.39) GAANAMPTCTSDCA2AKT1
SCHEMBL10919902 0.98 NAMPT (0.39) GAANAMPTCTSDCA2AKT1
SCHEMBL21658868 0.89 GAA (0.45) GAACTSDOGG1MAPTTSHR
SCHEMBL18045691 0.89 GAA (0.45) GAACTSDOGG1MAPTTSHR
SCHEMBL15144321 0.87 GAA (0.42) GAACTSDOGG1MAPTTSHR
SCHEMBL16420411 0.83 ALDH1A1 (0.43) GAACTSDOGG1TSHRCYP3A4
SCHEMBL16420408 0.83 ALDH1A1 (0.43) GAACTSDOGG1TSHRCYP3A4
SCHEMBL30951728 0.83 GAA (0.47) GAACTSDCA2MAPTTSHR
SCHEMBL21162998 0.83 CES2 (0.44) GAACTSDOGG1TSHRCYP3A4
SCHEMBL15010517 0.83 GAA (0.47) GAACTSDCA2MAPTTSHR

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-117615753-A Lipid nanoparticle and method for preparing the same 泰纳治疗公司 2024-02-27 CN disclosed
WO-2022270941-A1 LIPID NANOPARTICLES AND METHOD FOR PREPARING SAME 주식회사 테르나테라퓨틱스 2022-12-29 WO disclosed
US-4178378-A ANTIEPILEPTIC AGENT, TRANQUILIZER, AND ANTICONVULSANT CIBA-GEIGY CORPORATION (US) 1979-12-11 US disclosed