SCHEMBL8243098

SCHEMBL8243098

CN[C@H](C(=O)NCCC(=O)OC)[C@@H](C)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.40
▸ CA12 O43570 5/20 0.39
▸ CA14 Q9ULX7 5/20 0.39
▸ CA7 P43166 3/20 0.39
▸ CA9 Q16790 3/20 0.39
▸ EPHX2 P34913 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ RECQL P46063 1/20 0.35
▸ ECE1 P42892 3/20 0.33
▸ CA2 P00918 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.31

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
SCHEMBL19477882 0.81 POLB (0.47) TSHRMEN1KMT2AALDH1A1KDM4E
SCHEMBL23177699 0.81 POLB (0.47) TSHRMEN1KMT2AALDH1A1KDM4E
SCHEMBL12017878 0.77 TSHR (0.50) TSHRCA12CA14CA7CA9
SCHEMBL22183413 0.77 MEN1 (0.36) TSHRMEN1KMT2AALDH1A1LMNA
SCHEMBL2149827 0.74 TSHR (0.46) TSHRCA12CA14CA7CA9
SCHEMBL25328393 0.74 TSHR (0.46) TSHRCA12CA14CA7CA9
SCHEMBL18704629 0.74 ALDH1A1 (0.47) TSHRMEN1KMT2AALDH1A1
SCHEMBL19477772 0.73 MEN1 (0.42) MEN1KMT2APOLB
SCHEMBL12019233 0.73 TSHR (0.44) TSHRCA12CA14CA7CA9
SCHEMBL20813493 0.71 TSHR (0.43) TSHRCA12CA14CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007049803-A1 NEW CYCLIC PEPTIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2007-05-03 — — WO disclosed
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