SCHEMBL5889640

SCHEMBL5889640

CC(C)(CCC=O)CCCOCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.41
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 1/20 0.40
CA1 P00915 3/20 0.39
TEAD3 Q99594 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
PPARA Q07869 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL5889639 0.87 L3MBTL1 (0.42) L3MBTL1TDP1TSHRTEAD3HRH4
SCHEMBL17146847 0.83 TSHR (0.44) TSHRCA1CA2CA7CA9
SCHEMBL710282 0.81 TSHR (0.52) L3MBTL1TDP1TSHRCA1TEAD3
SCHEMBL6263416 0.81 TSHR (0.52) L3MBTL1TDP1TSHRCA1TEAD3
SCHEMBL713499 0.79 TSHR (0.50) L3MBTL1TDP1TSHRCA1TEAD3
SCHEMBL4059251 0.78 KDM4E (0.47) L3MBTL1TDP1TSHRCA1TEAD3
SCHEMBL18585071 0.78 L3MBTL1 (0.50) L3MBTL1TDP1TSHRTEAD3HRH4
SCHEMBL5561948 0.78 L3MBTL1 (0.50) L3MBTL1TDP1TSHRTEAD3HRH4
SCHEMBL9875114 0.78 L3MBTL1 (0.50) L3MBTL1TDP1TSHRTEAD3HRH4
SCHEMBL711369 0.78 L3MBTL1 (0.50) 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