SCHEMBL1989464

SCHEMBL1989464

C=C(CCCCOC(=O)CC#N)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
NAAA Q02083 1/20 0.31
DGKA P23743 1/20 0.31
HTT P42858 1/20 0.31
TLR2 O60603 1/20 0.30
TLR1 Q15399 1/20 0.30

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
SCHEMBL195789 0.95
SCHEMBL20368988 0.82 NAAA (0.41) PRSS1PRSS2PRSS3NAAADGKA
SCHEMBL8581191 0.80 NAAA (0.45) PRSS1PRSS2PRSS3NAAADGKA
SCHEMBL31678679 0.80 NAAA (0.45) PRSS1PRSS2PRSS3NAAADGKA
SCHEMBL23231149 0.78 MCL1 (0.40) NAAADGKAHTTTLR2TLR1
SCHEMBL4940438 0.77 TBXAS1 (0.34) TBXAS1PRSS1PRSS2PRSS3NAAA
SCHEMBL3379681 0.75 TBXAS1 (0.33) TBXAS1
SCHEMBL301045 0.75 MGAM (0.38) TBXAS1PRSS1PRSS2PRSS3NAAA
SCHEMBL1417583 0.74 MCL1 (0.34) PRSS1PRSS2PRSS3NAAA
SCHEMBL13739771 0.74 ACHE (0.37) NAAATLR2TLR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8980993-B2 Coating compositions for improved block resistance ARKEMA INC. (US) 2015-03-17 US claimed
EP-2297258-B1 COATING COMPOSITIONS HAVING INCREASED BLOCK RESISTANCE ARKEMA INC (US) 2014-03-19 EP claimed
US-20110152439-A1 COATING COMPOSITIONS FOR IMPROVED BLOCK RESISTANCE Ankema Inc. (US) 2011-06-23 US claimed
US-8980993-B2 Coating compositions for improved block resistance ARKEMA INC. (US) 2015-03-17 US disclosed
US-20110152439-A1 COATING COMPOSITIONS FOR IMPROVED BLOCK RESISTANCE Ankema Inc. (US) 2011-06-23 US disclosed