SCHEMBL1899577

SCHEMBL1899577

C=C(CCCCCCCCCCCCCCCCCNCCCC)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.43
ALDH1A1 P00352 3/20 0.43
HAO1 Q9UJM8 1/20 0.43
THRB P10828 1/20 0.43
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
PGGT1B P53609 1/20 0.43
EPHX1 P07099 2/20 0.42
ALOX15 P16050 2/20 0.42
GPR84 Q9NQS5 7/20 0.42
PPARG P37231 7/20 0.42
PPARD Q03181 7/20 0.42
PPARA Q07869 7/20 0.42
HDAC11 Q96DB2 5/20 0.42
PTPN1 P18031 3/20 0.42
TLR2 O60603 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
FABP4 P15090 2/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42

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
SCHEMBL11132679 1.00 TSHR (0.43) TSHRALDH1A1HAO1THRBFNTA
SCHEMBL432887 0.98 TSHR (0.44) TSHRALDH1A1HAO1THRBFNTA
SCHEMBL10752134 0.96 TSHR (0.48) TSHRALDH1A1HAO1THRBFNTA
SCHEMBL4278622 0.93 TSHR (0.48) TSHRALDH1A1HAO1THRBFNTA
SCHEMBL4265916 0.93 TSHR (0.48) TSHRALDH1A1HAO1THRBFNTA
SCHEMBL10753755 0.93 TSHR (0.48) TSHRALDH1A1HAO1THRBFNTA
SCHEMBL4275962 0.93 TSHR (0.48) TSHRALDH1A1HAO1THRBFNTA
SCHEMBL246135 0.92 ALOX15 (0.45) TSHRALDH1A1HAO1THRBFNTA
SCHEMBL4276362 0.91 ALDH1A1 (0.50) TSHRALDH1A1HAO1THRBFNTA
SCHEMBL635765 0.91 PAOX (0.50) TSHRALDH1A1HAO1THRBFNTA

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
EP-2324069-B1 MONOMER MIXTURE, POLYMER, COATING MEANS AND METHOD FOR PRODUCING A COATING EVONIK ROEHM GMBH (DE) 2013-12-18 EP disclosed
EP-2324069-A1 MONOMER MIXTURE, POLYMER, COATING MEANS AND METHOD FOR PRODUCING A COATING Evonik Röhm GmbH (DE) 2011-05-25 EP disclosed
WO-2010026118-A1 MONOMER MIXTURE, POLYMER, COATING MEANS AND METHOD FOR PRODUCING A COATING EVONIK RÖHM GMBH (DE) 2010-03-11 WO disclosed