SCHEMBL18970748

SCHEMBL18970748

COC(=O)CCCCCCOC(=O)CCCCCCCNCCO

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.45
ALOX15 P16050 1/20 0.45
DGKA P23743 1/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPK1 P28482 1/20 0.42
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41
EPHX2 P34913 2/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
LTA4H P09960 1/20 0.40
GAA P10253 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL13567271 0.90 TSHR (0.54) TSHRALDH1A1HSD17B10LMNAEPHX2
SCHEMBL18641686 0.90 TSHR (0.54) TSHRALDH1A1HSD17B10LMNAEPHX2
SCHEMBL23132220 0.90 TSHR (0.54) TSHRALDH1A1HSD17B10LMNAEPHX2
SCHEMBL19032585 0.89 DGKA (0.61) DGKAKDM4EEPHX2PRSS1PRSS2
SCHEMBL24573010 0.89 DGKA (0.61) DGKAKDM4EEPHX2PRSS1PRSS2
SCHEMBL31036510 0.89 DGKA (0.61) DGKAKDM4EEPHX2PRSS1PRSS2
SCHEMBL24573593 0.89 DGKA (0.61) DGKAKDM4EEPHX2PRSS1PRSS2
SCHEMBL24587794 0.89 DGKA (0.61) DGKAKDM4EEPHX2PRSS1PRSS2
SCHEMBL25342695 0.89 DGKA (0.61) DGKAKDM4EEPHX2PRSS1PRSS2
SCHEMBL25341615 0.89 DGKA (0.61) DGKAKDM4EEPHX2PRSS1PRSS2

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-2017099823-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF THERAPEUTIC AGENTS MODERNATX, INC. (US) 2017-06-15 WO disclosed