SCHEMBL29684239

SCHEMBL29684239

O=C1OCCCCCCOC(=O)c2cccc1c2.[Na]

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 1/20 0.35
CA9 Q16790 2/20 0.34
CA1 P00915 1/20 0.34
PGR P06401 2/20 0.33
MAPT P10636 1/20 0.33
FAAH O00519 1/20 0.33
NAAA Q02083 1/20 0.33
NAMPT P43490 1/20 0.33
KMO O15229 1/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
KMT2A Q03164 1/20 0.32
CLK1 P49759 1/20 0.32
DYRK1A Q13627 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
CCNC P24863 1/20 0.31
CDK8 P49336 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
SCHEMBL10867639 0.98 CA1 (0.36) IDH2CA9CA1PGRMAPT
SCHEMBL9436552 0.98 CA1 (0.36) IDH2CA9CA1PGRMAPT
SCHEMBL4749824 0.98 CA1 (0.36) IDH2CA9CA1PGRMAPT
SCHEMBL4746687 0.98 CA1 (0.36) IDH2CA9CA1PGRMAPT
SCHEMBL209608 0.96 CA1 (0.37) CA9CA1MAPTFAAHNAAA
Ethylene SCHEMBL28503705 0.94 CA1 (0.33) IDH2CA9CA1PGRMAPT
SCHEMBL29833169 0.93 FAAH (0.33) IDH2CA9CA1MAPTFAAH
SCHEMBL10875555 0.91 CA9 (0.34) CA9CA1MAPTFAAHNAAA
SCHEMBL212973 0.91 KMT2A (0.34) CA9CA1MAPTFAAHNAAA
Ethylene Glycol SCHEMBL11029757 0.88 FAAH (0.33) IDH2CA9CA1PGRFAAH

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
CN-114657657-A Cationic dyeable thermoplastic polyester elastic fiber and cationic dye-dyed thermoplastic polyester elastic fiber 力泰国际股份有限公司 2022-06-24 CN disclosed