SCHEMBL9420754

SCHEMBL9420754

CCCC(=O)OCCCCCCCCS

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.53
DGKA P23743 1/20 0.53
HTR2C P28335 1/20 0.51
DNM1 Q05193 1/20 0.49
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
RAD52 P43351 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
FAAH O00519 1/20 0.44
ALDH1A1 P00352 1/20 0.43
EPHX1 P07099 1/20 0.41
ACHE P22303 2/20 0.40
PAM P19021 2/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL9420717 1.00 NAAA (0.53) NAAADGKAHTR2CDNM1PRSS1
SCHEMBL2877938 0.98 NAAA (0.50) NAAADGKAHTR2CDNM1PRSS1
SCHEMBL2871598 0.92 DGKA (0.52) NAAADGKAHTR2CDNM1PRSS1
SCHEMBL9420819 0.90 DGKA (0.62) NAAADGKAHTR2CDNM1PRSS1
SCHEMBL19733720 0.90 NAAA (0.50) NAAADGKAHTR2CDNM1PRSS1
Pentane-1,5-Dibutanoate SCHEMBL15705199 0.89 NAAA (0.64) NAAADGKAHTR2CDNM1PRSS1
SCHEMBL420094 0.89 NAAA (0.64) NAAADGKAHTR2CDNM1PRSS1
SCHEMBL10961476 0.89 DGKA (0.71) NAAADGKAHTR2CDNM1PRSS1
SCHEMBL9420809 0.89 DGKA (0.71) NAAADGKAHTR2CDNM1PRSS1
SCHEMBL2864347 0.89 DGKA (0.71) NAAADGKAHTR2CDNM1PRSS1

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-5354800-A Emulsion polymerization of addition monomers with hydrophilic and hydrophobic chain transfer agent TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-10-11 US disclosed