SCHEMBL11829329

SCHEMBL11829329

CCCCCCCCCCCCCCCCCCOC(=O)CCC1CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.56
DGKA P23743 1/20 0.56
HTR2C P28335 1/20 0.54
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
RAD52 P43351 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
EPHX2 P34913 3/20 0.48
FAAH O00519 1/20 0.47
DNM1 Q05193 1/20 0.47
PRKCA P17252 2/20 0.45
EPHX1 P07099 1/20 0.44

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
SCHEMBL11837773 1.00 NAAA (0.56) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL11829013 1.00 NAAA (0.56) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL11832432 1.00 NAAA (0.56) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL11829100 1.00 NAAA (0.56) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL11828068 1.00 NAAA (0.56) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL8084714 0.92 EPHX2 (0.54) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL11853956 0.92 DGKA (0.56) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL11853456 0.92 DGKA (0.56) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL11830137 0.92 DGKA (0.59) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL11837154 0.92 DGKA (0.59) NAAADGKAHTR2CPRSS1PRSS2

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-3995054-A MITICIDES ZOECON CORPORATION (US) 1976-11-30 US disclosed