SCHEMBL5799342

SCHEMBL5799342

C=C(C)C(=O)OCC(COC(=O)C(=C)C)OC(=O)CC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
ALDH1A1 P00352 3/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
THRB P10828 1/20 0.38
LMNA P02545 1/20 0.38
PRKCA P17252 2/20 0.33
PRKCE Q02156 1/20 0.32
PRKCQ Q04759 1/20 0.32
PRKCD Q05655 1/20 0.32
LPAR1 Q92633 2/20 0.31
LPAR3 Q9UBY5 2/20 0.31
ENPP2 Q13822 1/20 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
SCHEMBL272764 0.97 TSHR (0.50) TSHRALDH1A1MGAMGAASI
SCHEMBL19197757 0.94 TSHR (0.59) TSHRALDH1A1MGAMGAASI
SCHEMBL9068269 0.92 TSHR (0.49) TSHRALDH1A1MGAMGAASI
SCHEMBL5795617 0.90 TSHR (0.50) TSHRALDH1A1MGAMGAASI
SCHEMBL11126677 0.87 TSHR (0.41) TSHRALDH1A1MGAMGAASI
SCHEMBL9120767 0.86 TSHR (0.44) TSHRALDH1A1MGAMGAASI
SCHEMBL14587951 0.86 TSHR (0.41) TSHRALDH1A1LMNA
SCHEMBL9281872 0.86 TSHR (0.53) TSHRALDH1A1MGAMGAASI
SCHEMBL14368427 0.86 TSHR (0.44) TSHRALDH1A1MGAMGAASI
SCHEMBL217999 0.84 TSHR (0.61) TSHRALDH1A1MGAMGAASI

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
WO-2006024885-A1 PROCESS FOR THE PREPARATION OF POLYISOCYANATE/POLYSILICIC ACID BASED POLYADDITION AND HYBRID RESINS USING BLOCKED POLYISO-CYANATES AND BLOCKED POLYISOCYANATES USABLE IN THE PROCESS POLINVENT FEJLESZTO, KIVITELEZO ÉS ÉRTÉKESÍTO KFT (HU) 2006-03-09 WO claimed