SCHEMBL28055093

SCHEMBL28055093

C[C@@H]1NCCN(CCCC(=O)OC(C)(C)C)C1=O.O=COCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.42
PLA2G5 P39877 1/20 0.42
FAAH O00519 3/20 0.37
PKM P14618 2/20 0.36
GAA P10253 1/20 0.36
GLA P06280 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
SIGMAR1 Q99720 2/20 0.33
CTSL P07711 1/20 0.33
GHSR Q92847 1/20 0.33
BACE1 P56817 1/20 0.33
MMP1 P03956 1/20 0.33
MMP13 P45452 1/20 0.33
ADAM17 P78536 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL28055137 0.97 PLA2G10 (0.42) PLA2G10PLA2G5FAAHPKMGAA
SCHEMBL27894045 0.94 PLA2G10 (0.43) PLA2G10PLA2G5FAAHPKMGAA
SCHEMBL28055160 0.85 TSHR (0.42) PKMGAAKDM4EMEN1ALDH1A1
SCHEMBL1586934 0.85 PLA2G10 (0.39) PLA2G10PLA2G5ATM
SCHEMBL1554996 0.85 PLA2G10 (0.39) PLA2G10PLA2G5ATM
SCHEMBL27894049 0.80 PKM (0.38) PLA2G10PLA2G5PKMGAAGLA
SCHEMBL1555754 0.78 PLA2G10 (0.40) PLA2G10PLA2G5ATM
SCHEMBL1556365 0.78 PLA2G10 (0.40) PLA2G10PLA2G5ATM
SCHEMBL1342913 0.74 TEAD3 (0.43) PKMGAAKDM4EALDH1A1LMNA
SCHEMBL1342915 0.74 TEAD3 (0.43) PKMGAAKDM4EALDH1A1LMNA

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
CN-102762541-B Diaza derivatives as modulators of chemokine receptors HOFFMAN-LA ROCHE LTD. (CH) 2016-03-16 CN disclosed