SCHEMBL21028683

SCHEMBL21028683

CCCCOC(=O)CCCCC(=O)OC(C)(C)CCCCO

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.49
DNM1 Q05193 1/20 0.42
MGLL Q99685 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
PAM P19021 2/20 0.38
ACHE P22303 6/20 0.38
KDM4E B2RXH2 1/20 0.38
DUSP3 P51452 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL21028764 0.94 DGKA (0.54) DGKADNM1PRSS1PRSS2PRSS3
SCHEMBL22593866 0.87 DGKA (0.37) DGKADNM1MGLLPRSS1PRSS2
SCHEMBL22182890 0.86 DGKA (0.39) DGKADNM1PRSS1PRSS2PRSS3
SCHEMBL14511026 0.85 DGKA (0.38) DGKADNM1PRSS1PRSS2PRSS3
SCHEMBL317440 0.84 DGKA (0.67) DGKADNM1MGLLPRSS1PRSS2
SCHEMBL17882128 0.83 DGKA (0.47) DGKADNM1PRSS1PRSS2PRSS3
SCHEMBL19709434 0.82 DGKA (0.70) DGKADNM1PRSS1PRSS2PRSS3
SCHEMBL3503023 0.82 DGKA (0.70) DGKADNM1PRSS1PRSS2PRSS3
SCHEMBL8847123 0.82 DGKA (0.70) DGKADNM1PRSS1PRSS2PRSS3
SCHEMBL6728610 0.82 DGKA (0.70) DGKADNM1PRSS1PRSS2PRSS3

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