SCHEMBL11543271

SCHEMBL11543271

CCCCCCCCCCOC(=O)CCCCCSC1=CCCC1=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.47
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
DNM1 Q05193 1/20 0.41
PRKCA P17252 5/20 0.41
NAAA Q02083 1/20 0.40
HTR2C P28335 1/20 0.40
EPHX2 P34913 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
PAM P19021 2/20 0.38
NLRP3 Q96P20 1/20 0.37

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
SCHEMBL6653246 0.82 GBA1 (0.38)
SCHEMBL11699801 0.79 DGKA (0.54) DGKAPRSS1PRSS2PRSS3DNM1
SCHEMBL11703150 0.79 DGKA (0.54) DGKAPRSS1PRSS2PRSS3DNM1
SCHEMBL11545321 0.77 TSHR (0.40)
SCHEMBL11618316 0.73 DGKA (0.69) DGKAPRSS1PRSS2PRSS3DNM1
SCHEMBL25243121 0.72 DGKA (0.87) DGKAPRSS1PRSS2PRSS3DNM1
SCHEMBL23042055 0.72 DGKA (0.87) DGKAPRSS1PRSS2PRSS3DNM1
SCHEMBL25245209 0.72 DGKA (0.87) DGKAPRSS1PRSS2PRSS3DNM1
SCHEMBL23041629 0.72 DGKA (0.87) DGKAPRSS1PRSS2PRSS3DNM1
SCHEMBL23041315 0.72 DGKA (0.87) 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-4180672-A 2-Organothio-2-cyclopentenones, organothio-cyclopentanes derived therefrom TEIJIN LIMITED (JP) 1979-12-25 US disclosed