SCHEMBL7061569

SCHEMBL7061569

C=C(C)C(=O)OCCC(CCC)OC(N)=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
THRB P10828 1/20 0.45
ALDH1A1 P00352 2/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CTSK P43235 1/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALOX15 P16050 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
SCHEMBL11048077 0.89 TSHR (0.51) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL31026356 0.81 THRB (0.51) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL10649244 0.81 THRB (0.38) TSHRTHRBALDH1A1CHRNB2CHRNB4
SCHEMBL31636160 0.79 TSHR (0.57) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL17805629 0.79 CTSK (0.42) TSHRALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL29132462 0.79 THRB (0.44) TSHRTHRBALDH1A1CHRNB2CHRNB4
SCHEMBL28175611 0.78 TSHR (0.56) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL31636150 0.78 TSHR (0.60) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL11863394 0.77 ALDH1A1 (0.46) TSHRTHRBALDH1A1TDP1CTSK
SCHEMBL5078251 0.77 TSHR (0.46) TSHRTHRBALDH1A1TDP1LMNA

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-0823458-B1 POLYMERIC MATERIAL, MEDICAL MATERIAL AND LIQUID POLYMER COMPOSITION NOF CORP (JP) 2003-05-14 EP disclosed
US-5977257-A Polymer material, medical material and liquid high molecular composition NOF CORPORATION (JP) 1999-11-02 US disclosed
EP-0823458-A1 POLYMERIC MATERIAL, MEDICAL MATERIAL AND LIQUID POLYMER COMPOSITION NOF CORPORATION (JP) 1998-02-11 EP disclosed