SCHEMBL28870964

SCHEMBL28870964

CCCCCC(C(=O)OOC(C)(C)C)C(=O)OOC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.41
ZDHHC7 Q9NXF8 1/20 0.41
CA2 P00918 2/20 0.39
SMPD1 P17405 3/20 0.38
GPR84 Q9NQS5 4/20 0.37
FFAR1 O14842 1/20 0.37
PRSS1 P07477 1/20 0.36
CTSG P08311 1/20 0.36
CTRB1 P17538 1/20 0.36
CMA1 P23946 1/20 0.36
MAPT P10636 1/20 0.36
LCK P06239 1/20 0.36
PPARD Q03181 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
GRIK1 P39086 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
GRIK2 Q13002 1/20 0.36
FAAH O00519 1/20 0.36

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
SCHEMBL465002 0.89 CA1 (0.39) CA1ZDHHC7CA2SMPD1GPR84
SCHEMBL21925211 0.84 CA2 (0.50) CA1ZDHHC7CA2SMPD1GPR84
SCHEMBL8490442 0.79 ZDHHC7 (0.46) CA1ZDHHC7CA2SMPD1GPR84
SCHEMBL17377641 0.79 ZDHHC7 (0.46) CA1ZDHHC7CA2SMPD1GPR84
Decane SCHEMBL12471611 0.79 MAPT (0.41) CA1ZDHHC7CA2MAPTFAAH
SCHEMBL210333 0.78 CA2 (0.61) CA1CA2MAPTSLC1A2SLC1A1
SCHEMBL11581616 0.77 DGKA (0.46) CA2MAPT
SCHEMBL11583045 0.77 DGKA (0.46) CA2MAPT
SCHEMBL12504166 0.76 CA2 (0.42) CA1ZDHHC7CA2SLC1A2SLC1A1
SCHEMBL9566598 0.75 CA2 (0.44) CA1ZDHHC7CA2SMPD1GPR84

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-106459550-B Thermosetting composition and method for producing thermosetting resin 出光兴产株式会社 2019-03-12 CN disclosed