SCHEMBL9567934

SCHEMBL9567934

CCCCCCCCCCOC(=O)CCS(=O)(=O)O.[NaH]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 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
FAAH O00519 1/20 0.47
DNM1 Q05193 1/20 0.47
EPHX1 P07099 1/20 0.44
TSHR P16473 2/20 0.43
PAM P19021 2/20 0.43
CA12 O43570 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA1 P00915 1/20 0.42
CA3 P07451 1/20 0.42

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
SCHEMBL9567918 1.00 NAAA (0.56) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL7731675 1.00 NAAA (0.56) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL15830900 0.98 NAAA (0.58) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL22286241 0.98 NAAA (0.58) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL22286240 0.98 NAAA (0.58) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL28200825 0.92 HTR2C (0.57) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL13609428 0.89 FAAH (0.56) NAAADGKAHTR2CFAAH
SCHEMBL10948667 0.88 DGKA (0.65) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL6128364 0.88 DGKA (0.65) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL10946414 0.88 DGKA (0.65) 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
EP-0530866-A1 Alkyl sulphooxyalkanoate compounds and compositions UNILEVER N.V. (NL) 1993-03-10 EP disclosed