SCHEMBL1614909

SCHEMBL1614909

C=CC(=O)OC(CCC)NC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
HPGD P15428 1/20 0.37
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
THRB P10828 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
SCHEMBL3280630 0.86 TSHR (0.40) TSHRHPGDALDH1A1TP53CYP3A4
SCHEMBL5504190 0.82 TSHR (0.41) TSHRHPGDALDH1A1TP53CYP3A4
SCHEMBL13451142 0.80 TSHR (0.55) TSHRHPGDALDH1A1TP53CYP3A4
SCHEMBL11590481 0.79 TSHR (0.39) TSHRHPGDALDH1A1TP53CYP3A4
SCHEMBL11518917 0.79 TSHR (0.41) TSHRHPGDTHRB
SCHEMBL11593256 0.78 TSHR (0.39) TSHRHPGDALDH1A1TP53CYP3A4
SCHEMBL16295832 0.78 TSHR (0.38) TSHRHPGDALDH1A1TP53CYP3A4
SCHEMBL11590360 0.78 TSHR (0.38) TSHRHPGDALDH1A1TP53CYP3A4
SCHEMBL11591610 0.75 TSHR (0.43) TSHRHPGDALDH1A1CYP3A4MAPK1
SCHEMBL23494171 0.75 TSHR (0.41) TSHRHPGDALDH1A1TP53CYP3A4

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-8188184-B2 Additive and vehicle for inks, paints, coatings and adhesives OMNITECH ENVIRONMENTAL, LLC (US) 2012-05-29 US disclosed
US-20110086957-A1 ADDITIVE AND VEHICLE FOR INKS, PAINTS, COATINGS AND ADHESIVES COOK LEROY JOHN 2011-04-14 US disclosed
US-7863485-B2 Additive and vehicle for inks, paints, coatings and adhesives OMNITECH ENVIRONMENTAL, LLC (US) 2011-01-04 US disclosed
WO-2006063266-A2 ADDITIVE AND VEHICLE FOR INKS, PAINTS, COATINGS AND ADHESIVES OMNITECH ENVIRONMENTAL, LLC (US) 2006-06-15 WO disclosed
US-20060128831-A1 Additive and vehicle for inks, paints, coatings and adhesives OMNITECH ENVIRONMENTAL, LLC 2006-06-15 US disclosed