SCHEMBL5808282

SCHEMBL5808282

CC(=O)N[C@@H](C)C(=O)OC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
GAA P10253 1/20 0.39
TRPV1 Q8NER1 1/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 2/20 0.34
ADRA1A P35348 1/20 0.32
PDE4D Q08499 1/20 0.32
CA14 Q9ULX7 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
RECQL P46063 2/20 0.32
PREP P48147 1/20 0.32
FAP Q12884 1/20 0.32

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
SCHEMBL5808278 1.00 TSHR (0.46) TSHRGAATRPV1PPARGNCOA2
SCHEMBL13785218 0.81 ALOX15 (0.40) TSHRGAAPPARGNCOA2NCOA1
SCHEMBL805648 0.80 CA14 (0.50) TSHRGAAALDH1A1CA14RECQL
SCHEMBL1876220 0.80 CA14 (0.50) TSHRGAAALDH1A1CA14RECQL
SCHEMBL1884920 0.80 CA14 (0.50) TSHRGAAALDH1A1CA14RECQL
SCHEMBL16647576 0.79 PPARG (0.39) TSHRPPARGNCOA2NCOA1RXFP1
SCHEMBL30698077 0.78 TSHR (0.35) TSHRGAATRPV1CA12CA14
SCHEMBL30698078 0.78 TSHR (0.35) TSHRGAATRPV1CA12CA14
SCHEMBL5812167 0.77 TSHR (0.42) TSHRTRPV1CA12ALDH1A1CA14
SCHEMBL5812170 0.77 TSHR (0.42) TSHRTRPV1CA12ALDH1A1CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 WO claimed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 US claimed
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 WO disclosed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 US disclosed