SCHEMBL22746296

SCHEMBL22746296

CCCCCCCCCCCCCNCCCCCCC(=O)OCCCCCCC

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.69
NAAA Q02083 1/20 0.58
PRSS1 P07477 1/20 0.58
PRSS2 P07478 1/20 0.58
PRSS3 P35030 1/20 0.58
DNM1 Q05193 1/20 0.57
HTR2C P28335 1/20 0.56
PAM P19021 2/20 0.53
FAAH O00519 1/20 0.53
EPHX2 P34913 5/20 0.51
EPHX1 P07099 1/20 0.50
TSHR P16473 1/20 0.50
MAPT P10636 1/20 0.50
RAD52 P43351 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL31131446 1.00 DGKA (0.69) DGKANAAAPRSS1PRSS2PRSS3
SCHEMBL17411440 1.00 DGKA (0.69) DGKANAAAPRSS1PRSS2PRSS3
SCHEMBL31011402 1.00 DGKA (0.69) DGKANAAAPRSS1PRSS2PRSS3
SCHEMBL22920293 1.00 DGKA (0.69) DGKANAAAPRSS1PRSS2PRSS3
SCHEMBL22746298 1.00 DGKA (0.69) DGKANAAAPRSS1PRSS2PRSS3
SCHEMBL10392579 1.00 DGKA (0.69) DGKANAAAPRSS1PRSS2PRSS3
SCHEMBL20562179 0.96 DGKA (0.69) DGKANAAAPRSS1PRSS2PRSS3
SCHEMBL22515387 0.96 DGKA (0.63) DGKANAAAPRSS1PRSS2PRSS3
SCHEMBL14632706 0.95 DGKA (0.71) DGKANAAAPRSS1PRSS2PRSS3
SCHEMBL21425737 0.94 DGKA (0.61) DGKANAAAPRSS1PRSS2PRSS3

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
WO-2020243002-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF HEMOCHROMATOSIS ULTRAGENYX PHARMACEUTICAL INC. (US) 2020-12-03 WO disclosed