SCHEMBL10906263

SCHEMBL10906263

C=C(C)C(=O)OC.C=C(CCO)C(=O)O.CCC=C(CCCCCC)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.38
APEX1 P27695 3/20 0.36
ALDH1A1 P00352 3/20 0.36
FNTA P49354 2/20 0.35
FNTB P49356 2/20 0.35
THRB P10828 1/20 0.35
PGGT1B P53609 1/20 0.35
POLB P06746 1/20 0.33
POLA1 P09884 1/20 0.33
HAO1 Q9UJM8 1/20 0.33
NAAA Q02083 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CNR2 P34972 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
PPARG P37231 4/20 0.31
PPARD Q03181 4/20 0.31
PPARA Q07869 4/20 0.31
GPR84 Q9NQS5 3/20 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
SCHEMBL29109673 0.91 TSHR (0.44) TSHRAPEX1ALDH1A1FNTAFNTB
Styrene SCHEMBL2136843 0.82 TDP1 (0.41) TSHRAPEX1ALDH1A1PPARGTDP1
SCHEMBL2709960 0.82 FNTA (0.43) TSHRAPEX1ALDH1A1FNTAFNTB
SCHEMBL20357568 0.82 TSHR (0.50) TSHRALDH1A1FNTAFNTBTHRB
SCHEMBL6413754 0.80 ALDH1A1 (0.52) TSHRALDH1A1FNTAFNTBTHRB
Methacrylic Acid SCHEMBL18587036 0.80 FNTA (0.44) TSHRALDH1A1FNTAFNTBTHRB
SCHEMBL11305499 0.80 TSHR (0.63) TSHRAPEX1ALDH1A1FNTAFNTB
SCHEMBL2244179 0.80 APEX1 (0.37) TSHRAPEX1ALDH1A1FNTAFNTB
SCHEMBL27809702 0.79 ALDH1A1 (0.58) TSHRALDH1A1THRBALOX15HSD17B10
SCHEMBL10781201 0.79 TSHR (0.65) TSHRAPEX1FNTAFNTBTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4618390-A CURING A BLEND OR LATEX, GLYCOL, THICKENER AND BLOCKED ISOCYANATE DISPERSION; RIGID AND FLEXIBLE SUBSTRATES ASHLAND OIL, INC. (US) 1986-10-21 US claimed