SCHEMBL27596076

SCHEMBL27596076

COC(=O)NNCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.43
TSHR P16473 2/20 0.34
CTH P32929 1/20 0.34
ALDH1A1 P00352 5/20 0.34
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
CYP2D6 P10635 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.32
PTGS2 P35354 1/20 0.32
LDHA P00338 1/20 0.32
SRR Q9GZT4 1/20 0.32
GLA P06280 1/20 0.31
EPHX1 P07099 1/20 0.31
FFAR3 O14843 1/20 0.30

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
SCHEMBL3164804 0.78 APLNR (0.43) TDP1GAA
SCHEMBL6964169 0.75 GLA (0.32) ALDH1A1TDP1GLA
SCHEMBL427699 0.74
SCHEMBL752297 0.74
SCHEMBL536155 0.74
SCHEMBL402057 0.73 GAA (0.50) TSHRALDH1A1LMNAGAASMN1; SMN2
SCHEMBL8352247 0.71 LDHA (0.50) EGLN1TSHRCTHALDH1A1TDP1
SCHEMBL7784530 0.71 ALDH1A1 (0.47) TSHRALDH1A1TDP1LMNAGAA
SCHEMBL8698181 0.70
SCHEMBL2776894 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1942472-B Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORP. (KR) 2012-02-15 CN disclosed
CN-1798746-B Reverse turn mimetics and methods relating thereto CHOONGWAE PHARMA CORP 2010-09-08 CN disclosed
CN-100475816-C Reverse turn mimetics and methods relating thereto CHOONGWAE PHARMA CORP (KR) 2009-04-08 CN disclosed
CN-1942472-A Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORP (KR) 2007-04-04 CN disclosed
CN-1872857-A Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORP (KR) 2006-12-06 CN disclosed
CN-1872856-A Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORP (KR) 2006-12-06 CN disclosed
CN-1871239-A Modulation of beta-catenin/tcf-activated transcription CHOONGWAE PHARMA CORP (KR) 2006-11-29 CN disclosed
CN-1798746-A Reverse turn mimetics and methods relating thereto CHOONGWAE PHARMA CORP (KR) 2006-07-05 CN disclosed
CN-1585770-A Reverse turn mimetics and methods relating thereto CHOONGWAE PHARMA CORP (KR) 2005-02-23 CN disclosed