SCHEMBL25736710

SCHEMBL25736710

CC(C)(C)OC(=O)NCCCCCOC(=O)CCS

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.60
CA1 P00915 6/20 0.60
CA2 P00918 6/20 0.60
CA9 Q16790 6/20 0.60
TDP1 Q9NUW8 1/20 0.56
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
ACHE P22303 7/20 0.44
TPSAB1 Q15661 1/20 0.43
TPSD1 Q9BZJ3 1/20 0.43
TPSG1 Q9NRR2 1/20 0.43
CYP3A4 P08684 1/20 0.40

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
SCHEMBL4539930 0.86 CA12 (0.68) CA12CA1CA2CA9TDP1
SCHEMBL31284031 0.84 CA12 (0.59) CA12CA1CA2CA9TDP1
SCHEMBL25181487 0.84 CA12 (0.59) CA12CA1CA2CA9TDP1
SCHEMBL20589930 0.84 CA12 (0.59) CA12CA1CA2CA9TDP1
SCHEMBL5190585 0.82 CA12 (0.70) CA12CA1CA2CA9TDP1
SCHEMBL19460978 0.81 TDP1 (0.71) CA12CA1CA2CA9TDP1
SCHEMBL22521163 0.81 TDP1 (0.71) CA12CA1CA2CA9TDP1
SCHEMBL16129111 0.81 TDP1 (0.71) CA12CA1CA2CA9TDP1
SCHEMBL28969493 0.81 CA12 (0.55) CA12CA1CA2CA9TDP1
SCHEMBL31065300 0.81 CA12 (0.55) CA12CA1CA2CA9TDP1

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
US-20230152698-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-18 US disclosed
US-20230152698-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-18 US disclosed