SCHEMBL671801

SCHEMBL671801

CCCC(C)(O)C(C)(C)OC(=O)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.35
NFKB1 P19838 1/20 0.35
ADRA1A P35348 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
FDPS P14324 1/20 0.30
GRM1 Q13255 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
SCHEMBL29263278 0.82 LMNA (0.38) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL9608672 0.79 LMNA (0.39) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL201293 0.78 LMNA (0.36) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL393485 0.76 LMNA (0.37) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL1396456 0.74 LMNA (0.36) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL12044639 0.72 CA1 (0.41) LMNAHSD17B10
SCHEMBL4106615 0.72 CYP1A2 (0.33) LMNAHSD17B10GRM1
SCHEMBL5197316 0.71 CHRM1 (0.34) LMNAHSD17B10TSHRADRA1ATDP1
SCHEMBL12044642 0.71 CA1 (0.40) LMNA
SCHEMBL2355142 0.70 ALDH1A1 (0.36) LMNATSHRCYP3A4NFKB1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130202860-A1 CHLORINE-FREE INK AND COATING COMPOSITIONS & A METHOD FOR PRINTING ON UNTREATED POLYOLEFIN FILMS WITH IMPROVED ADHESION SUN CHEMCIAL CORPORATION 2013-08-08 US claimed
EP-2606096-A1 CHLORINE-FREE INK AND COATING COMPOSITIONS&A METHOD FOR PRINTING ON UNTREATED POLYOLEFIN FILMS WITH IMPROVED ADHESION Sun Chemical Corporation (US) 2013-06-26 EP claimed
WO-2012024472-A1 CHLORINE-FREE INK AND COATING COMPOSITIONS & A METHOD FOR PRINTING ON UNTREATED POLYOLEFIN FILMS WITH IMPROVED ADHESION SUN CHEMICAL CORPORATION (US) 2012-02-23 WO claimed
EP-3618798-A1 COMPOSITION FOR ODOUR IMPROVEMENT Symrise AG (DE) 2020-03-11 EP disclosed