SCHEMBL5889639

SCHEMBL5889639

CC(C)(CC=O)CCCOCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.42
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 1/20 0.41
TEAD3 Q99594 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
NAAA Q02083 1/20 0.36

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
SCHEMBL5889640 0.87 L3MBTL1 (0.41) L3MBTL1TDP1TSHRTEAD3HRH4
SCHEMBL20267477 0.81 TSHR (0.47) L3MBTL1TSHRALDH1A1
SCHEMBL4059251 0.80 KDM4E (0.47) L3MBTL1TDP1TSHRTEAD3HRH4
SCHEMBL3949934 0.79 TSHR (0.52) L3MBTL1TDP1TSHRHRH4HRH3
SCHEMBL31032430 0.77 L3MBTL1 (0.46) L3MBTL1TDP1TSHRTEAD3HRH4
SCHEMBL31032426 0.77 L3MBTL1 (0.46) L3MBTL1TDP1TSHRHRH4HRH3
SCHEMBL6254932 0.76
SCHEMBL24386897 0.76 TSHR (0.48) L3MBTL1TDP1TSHRHRH4HRH3
SCHEMBL3956454 0.76 TSHR (0.48) L3MBTL1TDP1TSHRTEAD3HRH4
SCHEMBL18698623 0.76 TSHR (0.48) L3MBTL1TDP1TSHRTEAD3HRH4

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
US-7115296-B2 N-alkylaspartyl amide derivative and sweetening agent AJINOMOTO CO., INC. (JP) 2006-10-03 US disclosed
US-20040071851-A1 Novel N-alkylaspartyl amide derivative and sweetening agent AJINOMOTO CO. INC (JP) 2004-04-15 US disclosed