SCHEMBL6236200

SCHEMBL6236200

C=CC(=O)OCCCCCCCCCC(C)C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.53
ALDH1A1 P00352 5/20 0.53
CYP3A4 P08684 1/20 0.53
HPGD P15428 1/20 0.45
TP53 P04637 2/20 0.38
HIF1A Q16665 2/20 0.38
HSD17B10 Q99714 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
NAAA Q02083 1/20 0.35
EPHX1 P07099 1/20 0.34
GAA P10253 1/20 0.34
THRB P10828 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32

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
SCHEMBL4325855 0.84 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL1455202 0.81 TSHR (0.50) TSHRALDH1A1NAAAEPHX1THRB
SCHEMBL23494377 0.77 TSHR (0.56) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL2778020 0.77 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL35574 0.77 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL1260225 0.77 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL25270629 0.77 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL25281286 0.77 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL20503422 0.77 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL25228041 0.77 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53

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
EP-1526923-A2 RADIATION-CURABLE PAINT SYSTEMS HAVING A LOWER LAYER WITH LOW-TEMPERATURE ELASTICITY BASF AKTIENGESELLSCHAFT (DE) 2005-05-04 EP disclosed
EP-1468059-A2 RADIATION-HARDENED COATINGS WITH IMPROVED ADHESIVE STRENGTH BASF AKTIENGESELLSCHAFT (DE) 2004-10-20 EP disclosed
WO-2004009251-A2 RADIATION-CURABLE PAINT SYSTEMS HAVING A LOWER LAYER WITH LOW-TEMPERATURE ELASTICITY BASF AKTIENGESELLSCHAFT (DE) 2004-01-29 WO disclosed
WO-2003060029-A2 RADIATION-HARDENED COATINGS WITH IMPROVED ADHESIVE STRENGTH BASF AKTIENGESELLSCHAFT (DE) 2003-07-24 WO disclosed