SCHEMBL16246774

SCHEMBL16246774

CCCOCCCC(C(=O)O)=C(C#N)OCC

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C9 P11712 1/20 0.33
THRB P10828 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PGGT1B P53609 1/20 0.33
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31

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
SCHEMBL16247070 0.90 FNTA (0.38) ALDH1A1TSHRCYP2C9THRBFNTA
SCHEMBL7165551 0.87 THRB (0.33) TSHRTHRBFNTAFNTBPGGT1B
SCHEMBL1274503 0.82 ALDH1A1 (0.40) ALDH1A1TSHRCYP2C9THRBFNTA
SCHEMBL1274741 0.78 ALDH1A1 (0.41) ALDH1A1TSHRCYP2C9THRBFNTA
SCHEMBL1275352 0.78 HCAR2 (0.35) ALDH1A1TSHRCYP2C9THRBFNTA
SCHEMBL7167561 0.77 FNTA (0.39) ALDH1A1TSHRTHRBFNTAFNTB
SCHEMBL1275397 0.76 ALDH1A1 (0.42) ALDH1A1TSHRCYP2C9
SCHEMBL1724417 0.76 ALDH1A1 (0.42) ALDH1A1TSHRCYP2C9
SCHEMBL1275103 0.75 ALDH1A1 (0.41) ALDH1A1TSHRCYP2C9THRBFNTA
SCHEMBL1275387 0.73 HCAR2 (0.36) ALDH1A1TSHRCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2999689-A1 CYANOACRYLATE COMPOSITIONS Henkel IP & Holding GmbH (DE) 2016-03-30 EP disclosed
WO-2014189938-A1 CYANOACRYLATE COMPOSITIONS Henkel US IP LLC (US) 2014-11-27 WO disclosed