SCHEMBL7542440

SCHEMBL7542440

CC(=O)N[C@H](Cc1ccc(C)s1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
ALOX15 P16050 1/20 0.47
NFKB1 P19838 1/20 0.47
PTGS2 P35354 1/20 0.47
THPO P40225 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TNF P01375 1/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 1/20 0.42
ITGB3 P05106 2/20 0.41
ITGA2B P08514 1/20 0.41
PRMT6 Q96LA8 1/20 0.40
ITGB1 P05556 2/20 0.39
ITGAV P06756 1/20 0.39
ITGA5 P08648 1/20 0.39
GNPAT O15228 1/20 0.39

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
SCHEMBL27537229 1.00 KDM4E (0.47) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL27520737 0.85 TACR1 (0.41) THRBLMNAALDH1A1PRMT6L3MBTL1
SCHEMBL4389856 0.83 TNF (0.46) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL27546548 0.83 KDM4E (0.46) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL6872282 0.81 KDM4E (0.44) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL27551751 0.80 ALOX15 (0.42) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL7362447 0.75 CYP2C19 (0.60) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL7362451 0.75 CYP2C19 (0.60) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL2921395 0.75 PRSS1 (0.47) KDM4EMAPTTHRBRECQLALDH1A1
SCHEMBL28318850 0.73 SLC7A5 (0.47) KDM4EMAPTTHRBALOX15NFKB1

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
EP-0837877-B8 L-ASPARTYL-L-THIENYLALANINE METHYL ESTERS, PROCESS FOR PRODUCING THEM AND THEIR USE AS SWEETENERS PHARMACON FORSCHUNG & BERATUNG GMBH (AT) 2002-05-15 EP disclosed
EP-0837877-B1 L-ASPARTYL-L-THIENYLALANINE METHYL ESTERS, PROCESS FOR PRODUCING THEM AND THEIR USE AS SWEETENERS PHARMACON FORSCHUNG & BERATUNG GMBH (AT) 2001-08-16 EP disclosed
EP-0837877-A1 L-ASPARTYL-L-THIENYLALANINE METHYL ESTERS, PROCESS FOR PRODUCING THEM AND THEIR USE AS SWEETENERS HOLLAND SWEETENER COMPANY V.O.F. (NL) 1998-04-29 EP disclosed
WO-1996037507-A1 L-ASPARTYL-L-THIENYLALANINE METHYL ESTERS, PROCESS FOR PRODUCING THEM AND THEIR USE AS SWEETENERS HOLLAND SWEETENER COMPANY V.O.F. (NL) 1996-11-28 WO disclosed