SCHEMBL29940818

SCHEMBL29940818

CCCCCCCC(=O)C(=O)OCC#CC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.44
CES2 O00748 5/20 0.41
CES1 P23141 5/20 0.41
DGKA P23743 1/20 0.36
PTPN7 P35236 3/20 0.34
HMGCR P04035 2/20 0.34
PAM P19021 2/20 0.33
SPHK1 Q9NYA1 1/20 0.33

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
SCHEMBL29154678 0.88 CES2 (0.33) CES2CES1
SCHEMBL1088865 0.77 CES2 (0.58) FAAHCES2CES1
SCHEMBL28191479 0.77 CES2 (0.58) FAAHCES2CES1
SCHEMBL28241366 0.77 CES2 (0.58) FAAHCES2CES1
SCHEMBL29940811 0.76 CTSK (0.33)
SCHEMBL1100128 0.76 SPHK1 (0.49) PTPN7HMGCRSPHK1
SCHEMBL9431005 0.75 CES2 (0.56) FAAHCES2CES1
SCHEMBL30863694 0.74 CTSK (0.32)
SCHEMBL1088614 0.74 SPHK1 (0.47) PTPN7HMGCRSPHK1
SCHEMBL17980433 0.72 DGKA (0.50) FAAHCES2CES1DGKAPAM

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-4313174-A1 SYSTEMS AND METHOD FOR GENERATION OF HYPERPOLARIZED MATERIALS NVision Imaging Technologies GmbH (DE) 2024-02-07 EP disclosed
WO-2022200859-A1 SYSTEMS AND METHOD FOR GENERATION OF HYPERPOLARIZED MATERIALS NVision Imaging Technolgies GmbH (DE) 2022-09-29 WO disclosed