SCHEMBL17980433

SCHEMBL17980433

CCCCCCCCCCCCCCC(=O)C(=O)OCCCCC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.50
FAAH O00519 2/20 0.48
TSHR P16473 2/20 0.46
NAAA Q02083 1/20 0.46
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
CES2 O00748 4/20 0.44
CES1 P23141 4/20 0.44
RAD52 P43351 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
DNM1 Q05193 1/20 0.43
PAM P19021 2/20 0.42
HTR2C P28335 1/20 0.42

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
SCHEMBL17980410 0.97 DGKA (0.50) DGKAFAAHTSHRNAAAPRSS1
SCHEMBL30842929 0.87 DGKA (0.67) DGKAFAAHTSHRNAAAPRSS1
SCHEMBL30842970 0.87 DGKA (0.67) DGKAFAAHTSHRNAAAPRSS1
SCHEMBL30842927 0.87 DGKA (0.67) DGKAFAAHTSHRNAAAPRSS1
SCHEMBL30842923 0.87 DGKA (0.67) DGKAFAAHTSHRNAAAPRSS1
SCHEMBL16012871 0.86 DGKA (0.55) DGKAFAAHTSHRNAAAPRSS1
SCHEMBL10882394 0.85 FAAH (0.61) DGKAFAAHTSHRNAAAPRSS1
SCHEMBL9002877 0.85 FAAH (0.61) DGKAFAAHTSHRNAAAPRSS1
SCHEMBL9002350 0.85 FAAH (0.61) DGKAFAAHTSHRNAAAPRSS1
SCHEMBL30804536 0.85 FAAH (0.61) DGKAFAAHTSHRNAAAPRSS1

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
WO-2016128132-A1 2-OXOESTER COMPOUNDS AND USES THEREOF NATIONAL AND KAPODISTRIAN UNIVERSITY OF ATHENS (GR) 2016-08-18 WO disclosed
WO-2016128132-A1 2-OXOESTER COMPOUNDS AND USES THEREOF NATIONAL AND KAPODISTRIAN UNIVERSITY OF ATHENS (GR) 2016-08-18 WO disclosed