SCHEMBL28407013

SCHEMBL28407013

CCC(CCCC(=O)[O-])C(=O)[O-].[Pb+2]

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.64
NFKB1 P19838 3/20 0.48
CA1 P00915 4/20 0.46
CYP3A4 P08684 2/20 0.46
TSHR P16473 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MAPK1 P28482 1/20 0.42
FFAR3 O14843 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
BBOX1 O75936 2/20 0.39

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
SCHEMBL963462 0.88 CA2 (0.66) CA2NFKB1CA1CYP3A4TSHR
Potassium Ion SCHEMBL5460997 0.88 CA2 (0.60) CA2NFKB1CA1CYP3A4TSHR
Sebacic Acid SCHEMBL8747721 0.85 CA2 (0.72) CA2NFKB1CA1MAPK1
2-Ethylhexanoic Acid SCHEMBL6328306 0.85 CA2 (0.72) CA2NFKB1CA1MAPK1
2-Ethylhexanoic Acid SCHEMBL11336103 0.83 CA2 (0.70) CA2NFKB1CA1MAPK1
2-Ethylhexanoic Acid SCHEMBL31503113 0.83 CA2 (0.70) CA2NFKB1CA1MAPK1
Stearic Acid SCHEMBL17707712 0.83 CA2 (0.70) CA2NFKB1CA1MAPK1
2-Ethylhexanoic Acid SCHEMBL9222984 0.83 CA2 (0.76) CA2NFKB1CA1MAPK1
2-Ethylhexanoic Acid SCHEMBL29893966 0.83 CA2 (0.70) CA2NFKB1MAPK1
Stearic Acid SCHEMBL8665090 0.83 CA2 (0.70) CA2NFKB1CA1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113166616-B Polyurethane resin having good adhesion to substrate and adhesive composition using same 东洋纺株式会社 2023-02-03 CN disclosed
CN-113166616-A Polyurethane resin having good adhesion to substrate and adhesive composition using same 东洋纺株式会社 2021-07-23 CN disclosed
CN-111117394-A Water-based plastic paint 郭翩翩 2020-05-08 CN disclosed