SCHEMBL27714869

SCHEMBL27714869

CCOC(=O)C(CCC(N)c1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
MMP8 P22894 2/20 0.45
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
TSHR P16473 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
PIN1 Q13526 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL8315123 0.89 AAK1 (0.41) KMT2AAAK1SMN1; SMN2
Hydrochloric Acid SCHEMBL7770451 0.89 TDP1 (0.54) TDP1MMP8MEN1KMT2ANPC1
SCHEMBL27535107 0.79 SLC7A5 (0.40) MEN1KMT2AAAK1SMN1; SMN2POLB
SCHEMBL23012998 0.79 SLC7A5 (0.40) MEN1KMT2AAAK1SMN1; SMN2POLB
SCHEMBL16795576 0.79 MMP8 (0.60) MMP8MEN1KMT2ANPC1TSHR
SCHEMBL9556107 0.76 MMP8 (0.62) TDP1MMP8MEN1KMT2ANPC1
SCHEMBL7412568 0.75 TDP1 (0.49) TDP1MMP8MEN1KMT2ATSHR
SCHEMBL8633650 0.75 POLB (0.38) TDP1MEN1KMT2ATSHRPOLB
SCHEMBL12155250 0.75 CTSK (0.40)
SCHEMBL28386849 0.73 AAK1 (0.39) MEN1KMT2AAAK1SMN1; SMN2POLB

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
CN-101092373-B Method for synthesizing optically active derivative of 5 - aryl - (S) - N - boc - alpha amino pentanoic acid YAOMINGKANGDE NEW MEDICINES CO LTD SHANGHAI 2012-06-27 CN disclosed
CN-101092373-A Method for synthesizing optically active derivative of 5 - aryl - (S) - N - boc - alpha amino pentanoic acid YAOMINGKANGDE NEW MEDICINES CO (CN) 2007-12-26 CN disclosed