SCHEMBL13055412

SCHEMBL13055412

CC(C)(C)OC(=O)NCCCCCCN(CCCCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.64
TDP1 Q9NUW8 1/20 0.63
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
GAA P10253 1/20 0.51
CA12 O43570 6/20 0.51
CA1 P00915 6/20 0.51
CA2 P00918 6/20 0.51
CA9 Q16790 6/20 0.51
STK17B O94768 1/20 0.41
STK17A Q9UEE5 1/20 0.41
CYP3A4 P08684 1/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 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
SCHEMBL8719347 0.97 CA14 (0.68) CA14TDP1MAOAMAOBMEN1
SCHEMBL13055410 0.97 CA14 (0.68) CA14TDP1MAOAMAOBMEN1
SCHEMBL8021860 0.97 CA14 (0.68) CA14TDP1MAOAMAOBMEN1
SCHEMBL14877954 0.94 CA14 (0.58) CA14TDP1MAOAMAOBMEN1
SCHEMBL14877951 0.94 CA14 (0.58) CA14TDP1MAOAMAOBMEN1
SCHEMBL8020881 0.94 CA14 (0.60) CA14TDP1MAOAMAOBMEN1
SCHEMBL8714161 0.93 CA14 (0.68) CA14TDP1MAOAMAOBMEN1
SCHEMBL19340291 0.93 CA14 (0.57) CA14TDP1MAOAMAOBMEN1
SCHEMBL13004665 0.92 CA14 (0.59) CA14TDP1MAOAMAOBMEN1
SCHEMBL9885950 0.92 CA14 (0.63) CA14TDP1MAOAMAOBMEN1

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-8426105-B2 Resist-modifying composition and pattern forming process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-04-23 US disclosed
US-20100297554-A1 RESIST-MODIFYING COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-11-25 US disclosed