SCHEMBL21202243

SCHEMBL21202243

CC(C)(C)CCCCOC(=O)CCC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.40
ADRA2A P08913 1/20 0.38
ADRA1A P35348 1/20 0.38
MAPT P10636 1/20 0.37
BLM P54132 1/20 0.37
NAAA Q02083 1/20 0.36
DGKA P23743 1/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
STING1 Q86WV6 1/20 0.32
RAD52 P43351 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
EPHX2 P34913 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL21202241 0.98 HTR2C (0.42) HTR2CADRA2AADRA1AMAPTBLM
SCHEMBL10031825 0.91 HTR2C (0.46) HTR2CADRA2AADRA1AMAPTBLM
SCHEMBL754509 0.87 ADRA2A (0.42) HTR2CADRA2AADRA1AMAPTBLM
SCHEMBL21473629 0.84 CA12 (0.40) HTR2CNAAACA12CA1CA2
SCHEMBL21475353 0.84 CA12 (0.40) HTR2CNAAACA12CA1CA2
SCHEMBL22869218 0.83 EPHX2 (0.41) DGKACA1CA2STING1EPHX2
SCHEMBL30904834 0.82 HTR2C (0.60) HTR2CNAAADGKAPRSS1PRSS2
SCHEMBL21614596 0.81 ADRA2A (0.41) HTR2CADRA2AADRA1AMAPTBLM
SCHEMBL17447173 0.81 ADRA2A (0.36) ADRA2AADRA1AMAPTBLMDGKA
SCHEMBL10250201 0.81 EPHX2 (0.43) MAPTDGKASTING1EPHX2

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
US-10367228-B2 Diester-based polymer electrolytes for high voltage lithium ion batteries SEEO, INC. (US) 2019-07-30 US disclosed