SCHEMBL24826951

SCHEMBL24826951

COCC(C)(COC(=O)SC)NC(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 9/20 0.33
CA12 O43570 2/20 0.32
CA14 Q9ULX7 2/20 0.32
CA2 P00918 2/20 0.32
TDP1 Q9NUW8 1/20 0.31
IDO1 P14902 1/20 0.31
CA1 P00915 1/20 0.30
CA7 P43166 1/20 0.30
AKT1 P31749 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTT P42858 1/20 0.30
DGAT1 O75907 1/20 0.30
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 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
SCHEMBL90257 0.85 CA12 (0.40) AAK1CA12CA14CA2TDP1
SCHEMBL18138208 0.77 TDP1 (0.40) AAK1CA12CA14CA2TDP1
SCHEMBL24826917 0.75 AAK1 (0.37) AAK1CA12CA14CA2TDP1
SCHEMBL25375682 0.72 CTSK (0.38) AAK1CA12CA14CA2TDP1
SCHEMBL25375678 0.72 CTSK (0.38) AAK1CA12CA14CA2TDP1
SCHEMBL7923566 0.71 CA2 (0.42) CA12CA14CA2TDP1CA1
SCHEMBL18961999 0.70 GAA (0.38) CYP1A2CYP2C9CYP2C19HTTKMT2A
SCHEMBL31346359 0.68 DGAT1 (0.45) AAK1CA12CA14CA2TDP1
SCHEMBL22164468 0.68 TDP1 (0.38) AAK1CA12CA14CA2TDP1
SCHEMBL22164466 0.68 TDP1 (0.38) AAK1CA12CA14CA2TDP1

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
WO-2022268913-A1 NUCLEIC ACID CONTAINING NANOPARTICLES BIO-TRIP B.V. (NL) 2022-12-29 WO disclosed