SCHEMBL7433877

SCHEMBL7433877

CC(C)COC(=O)CCNCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
EPHX2 P34913 1/20 0.38
TSHR P16473 5/20 0.36
MAPT P10636 1/20 0.35
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 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
SCHEMBL846984 0.81 EGLN1 (0.45) POLBGAAEPHX2TSHRMAPT
SCHEMBL7443456 0.80 GAA (0.40) POLBGAAEPHX2TSHRMAPT
SCHEMBL7429768 0.79 GAA (0.48) GAAMAPTALDH1A1L3MBTL1
SCHEMBL22277145 0.79 POLB (0.43) POLBGAAEPHX2TSHRMAPT
SCHEMBL16761793 0.77 POLB (0.43) POLBGAAEPHX2TSHRMAPT
Glutarate SCHEMBL28926850 0.77 TSHR (0.48) POLBGAAEPHX2TSHRMAPT
SCHEMBL1515417 0.77 TSHR (0.54) EPHX2TSHRMAPTALDH1A1TDP1
SCHEMBL409033 0.77 MAPT (0.52) EPHX2TSHRMAPTALDH1A1TDP1
SCHEMBL10701326 0.77 PAM (0.46) TSHRMAPTALDH1A1
SCHEMBL20460677 0.77 POLB (0.48) POLBGAAEPHX2TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0384636-A1 Pharmaceutically active compounds FISONS plc (GB) 1990-08-29 EP claimed
EP-0384636-A1 Pharmaceutically active compounds FISONS plc (GB) 1990-08-29 EP disclosed