SCHEMBL9621473

SCHEMBL9621473

CCCCCCCCCCC(CC)C(=O)OS(=O)(=O)O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.53
CA1 P00915 4/20 0.53
MAPK1 P28482 1/20 0.44
ZDHHC7 Q9NXF8 1/20 0.42
TP53 P04637 1/20 0.42
GRIK1 P39086 2/20 0.40
GRIK2 Q13002 2/20 0.40
GPR84 Q9NQS5 3/20 0.39
FFAR1 O14842 1/20 0.39
MAPT P10636 1/20 0.38
LCK P06239 1/20 0.38
PPARD Q03181 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38

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
SCHEMBL8028659 0.93 CA2 (0.47) CA2CA1ZDHHC7TP53GRIK1
SCHEMBL3256653 0.85 GPR84 (0.49) CA2ZDHHC7GRIK1GRIK2GPR84
SCHEMBL5329390 0.84 GPR84 (0.47) CA2GRIK1GRIK2GPR84FFAR1
SCHEMBL28785188 0.84 EPHX2 (0.44) TP53FFAR1MAPTPPARD
SCHEMBL28172815 0.83 CA2 (0.54) CA2CA1MAPK1ZDHHC7TP53
Ammonia Solution, Strong SCHEMBL28665546 0.83 EPHX2 (0.43) TP53FFAR1MAPTPPARD
SCHEMBL7967486 0.83 CA2 (0.50) CA2CA1ZDHHC7TP53GPR84
SCHEMBL7996557 0.82 NAAA (0.47) CA2MAPK1ZDHHC7MAPT
SCHEMBL8023389 0.81 CA1 (0.48) CA1ZDHHC7TP53GPR84FFAR1
SCHEMBL8012308 0.81 CA1 (0.48) CA1ZDHHC7TP53GPR84FFAR1

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
EP-0465579-A1 IMPROVED METHOD OF PRODUCING PULP EXXON CHEMICAL PATENTS INC. (US) 1992-01-15 EP disclosed
WO-1990011401-A1 IMPROVED METHOD OF PRODUCING PULP EXXON CHEMICAL PATENTS INC. (US) 1990-10-04 WO disclosed