SCHEMBL9296385

SCHEMBL9296385

CCCCCCCOC(=O)CCCCCCC.Cc1cc(Sc2ccc(O)c(C)c2)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.49
ESR1 P03372 4/20 0.45
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
EPHX2 P34913 1/20 0.44
CNR2 P34972 3/20 0.43
AKR1C4 P17516 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
APP P05067 3/20 0.43

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
Ethyl Tetradecanoate SCHEMBL9296398 0.92 NR4A1 (0.45) DGKAESR1APP
SCHEMBL9296175 0.86 ESR1 (0.58) DGKAESR1PRSS1PRSS2PRSS3
SCHEMBL9297212 0.83 ESR1 (0.55) DGKAESR1PRSS1PRSS2PRSS3
Stearic Acid SCHEMBL9297470 0.83 GPR84 (0.49) ESR1APP
SCHEMBL8756798 0.82 NR5A1 (0.54) ESR1
SCHEMBL9297120 0.81 DGKA (0.48) DGKAESR1PRSS1PRSS2PRSS3
SCHEMBL9299215 0.80 MEN1 (0.50) DGKAESR1PRSS1PRSS2PRSS3
SCHEMBL14727948 0.80 APP (0.56) DGKAAPP
Cetostearyl Alcohol SCHEMBL9297330 0.77 ESR1 (0.46) ESR1
SCHEMBL25243121 0.74 DGKA (0.87) DGKAPRSS1PRSS2PRSS3

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-5281570-A Heat sensitive sheets MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-01-25 US disclosed