SCHEMBL10654449

SCHEMBL10654449

C=C(C)C(=O)OC(CCCC)COC(N)=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.42
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
PRKCA P17252 4/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
PRKCE Q02156 1/20 0.34
PRKCQ Q04759 1/20 0.34
PRKCD Q05655 1/20 0.34
ALOX15 P16050 1/20 0.33
THRB P10828 1/20 0.33
CYP3A4 P08684 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL4669295 0.91 TSHR (0.41) TSHRALDH1A1LMNAPRKCAALOX15
SCHEMBL730445 0.89 TSHR (0.50) TSHRALDH1A1LMNAPRKCACA1
SCHEMBL5078251 0.88 TSHR (0.46) TSHRALDH1A1LMNAPRKCACA1
SCHEMBL1577727 0.84 TSHR (0.48) TSHRALDH1A1PRKCACA1CA2
SCHEMBL730544 0.83 TSHR (0.56) TSHRALDH1A1LMNAPRKCAPRKCE
SCHEMBL27370383 0.83 TSHR (0.56) TSHRALDH1A1LMNAPRKCAPRKCE
SCHEMBL27370395 0.83 TSHR (0.56) TSHRALDH1A1LMNAPRKCAPRKCE
SCHEMBL22207427 0.83 TSHR (0.56) TSHRALDH1A1LMNAPRKCAPRKCE
SCHEMBL730808 0.83 TSHR (0.56) TSHRALDH1A1LMNAPRKCAPRKCE
SCHEMBL27370412 0.83 TSHR (0.56) TSHRALDH1A1LMNAPRKCAPRKCE

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-4773920-A CURABLE COATINGS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-09-27 US disclosed