SCHEMBL28601020

SCHEMBL28601020

CCCCCCCCC(CCCCCC)C(=O)NCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.52
FAAH O00519 1/20 0.50
BIRC2 Q13490 1/20 0.47
CA1 P00915 2/20 0.47
GRIK1 P39086 1/20 0.46
GRIK2 Q13002 1/20 0.46
GPR84 Q9NQS5 3/20 0.45
FDPS P14324 3/20 0.45
FFAR1 O14842 1/20 0.45
GNAI3 P08754 1/20 0.45
GNAO1 P09471 1/20 0.45
GNAI1 P63096 1/20 0.45
ZDHHC7 Q9NXF8 1/20 0.44
MAPT P10636 1/20 0.44
LCK P06239 1/20 0.44
PPARD Q03181 1/20 0.44
ZDHHC20 Q5W0Z9 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
HDAC7 Q8WUI4 1/20 0.43
HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL8431170 1.00 CA2 (0.52) CA2FAAHBIRC2CA1GRIK1
SCHEMBL18612532 1.00 CA2 (0.52) CA2FAAHBIRC2CA1GRIK1
SCHEMBL26030776 1.00 CA2 (0.52) CA2FAAHBIRC2CA1GRIK1
SCHEMBL21250702 1.00 CA2 (0.52) CA2FAAHBIRC2CA1GRIK1
SCHEMBL3913549 0.94 HDAC7 (0.52) CA2FAAHBIRC2CA1GRIK1
SCHEMBL28581790 0.89 BIRC2 (0.44) CA2FAAHBIRC2CA1GRIK1
SCHEMBL24932113 0.86 GNAI3 (0.56) CA2GNAI3GNAO1GNAI1EPHX1
SCHEMBL22643752 0.86 GNAI3 (0.60) GNAI3GNAO1GNAI1EPHX1
SCHEMBL22857535 0.86 GNAI3 (0.56) CA2GNAI3GNAO1GNAI1EPHX1
SCHEMBL28552798 0.86 GNAI3 (0.56) CA2GNAI3GNAO1GNAI1EPHX1

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-113073210-A Extraction method for separating magnesium from low-temperature magnesium-containing brine to extract lithium and application of extraction method 湘潭大学 2021-07-06 CN disclosed