SCHEMBL28117615

SCHEMBL28117615

CCCCCOC(=O)CC(=O)CC(=O)OCCCCC

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.75
NAAA Q02083 1/20 0.65
HTR2C P28335 1/20 0.56
EPHX1 P07099 1/20 0.55
RAD52 P43351 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ALDH1A1 P00352 1/20 0.54
DGKA P23743 1/20 0.54
ACHE P22303 6/20 0.48
TSHR P16473 2/20 0.48

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
SCHEMBL10525217 0.98 FAAH (0.79) FAAHNAAAHTR2CEPHX1RAD52
SCHEMBL9676495 0.98 FAAH (0.79) FAAHNAAAHTR2CEPHX1RAD52
SCHEMBL1010990 0.93 FAAH (0.66) FAAHNAAAHTR2CEPHX1RAD52
SCHEMBL10603195 0.91 FAAH (0.70) FAAHNAAAHTR2CEPHX1RAD52
SCHEMBL240774 0.91 NAAA (0.71) FAAHNAAAHTR2CEPHX1RAD52
SCHEMBL10604360 0.90 FAAH (0.73) FAAHNAAAHTR2CEPHX1RAD52
SCHEMBL28856643 0.90 FAAH (0.68) FAAHNAAAHTR2CEPHX1RAD52
SCHEMBL10604950 0.90 FAAH (0.73) FAAHNAAAHTR2CEPHX1RAD52
SCHEMBL10901480 0.90 FAAH (0.73) FAAHNAAAHTR2CEPHX1RAD52
SCHEMBL11569429 0.90 FAAH (0.68) FAAHNAAAHTR2CEPHX1RAD52

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
CN-117616027-A Novel pentanedione polycyclic ligands and transition metal complexes thereof 尤米科尔公司 2024-02-27 CN disclosed
CN-106221471-A Coating 东丽精细化工株式会社 2016-12-14 CN disclosed