SCHEMBL21028764

SCHEMBL21028764

CCCCCCOC(=O)CCCCC(=O)OC(C)(C)CCCCCCO

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.54
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
DNM1 Q05193 1/20 0.47
NAAA Q02083 1/20 0.46
HTR2C P28335 1/20 0.46
PAM P19021 2/20 0.43
CNR2 P34972 1/20 0.43
ACHE P22303 4/20 0.42
KDM4E B2RXH2 1/20 0.42
DUSP3 P51452 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 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
SCHEMBL21028683 0.94 DGKA (0.49) DGKAPRSS1PRSS2PRSS3DNM1
SCHEMBL22182890 0.89 DGKA (0.39) DGKAPRSS1PRSS2PRSS3DNM1
SCHEMBL14511026 0.88 DGKA (0.38) DGKAPRSS1PRSS2PRSS3DNM1
SCHEMBL22593866 0.87 DGKA (0.37) DGKAPRSS1PRSS2PRSS3DNM1
SCHEMBL2145746 0.85 DGKA (0.74) DGKAPRSS1PRSS2PRSS3DNM1
SCHEMBL2518708 0.85 DGKA (0.74) DGKAPRSS1PRSS2PRSS3DNM1
SCHEMBL3443790 0.85 DGKA (0.74) DGKAPRSS1PRSS2PRSS3DNM1
SCHEMBL21800953 0.85 DGKA (0.74) DGKAPRSS1PRSS2PRSS3DNM1
SCHEMBL20740271 0.85 DGKA (0.74) DGKAPRSS1PRSS2PRSS3DNM1
Dodecanol SCHEMBL2369293 0.85 DGKA (0.74) DGKAPRSS1PRSS2PRSS3DNM1

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
US-10301418-B2 Chemical resistant polyurethane adhesive 3M INNOVATIVE PROPERTIES COMPANY (US) 2019-05-28 US disclosed