SCHEMBL7703728

SCHEMBL7703728

CC(C)(C)OC(=O)N1C(=O)C(CCc2ccc3ccccc3c2)C[C@H]1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 5/20 0.38
NR1H3 Q13133 3/20 0.38
GRM2 Q14416 1/20 0.37
CHRM3 P20309 1/20 0.37
CYP1A2 P05177 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KLK7 P49862 1/20 0.36
SLC13A5 Q86YT5 1/20 0.35
ACE P12821 1/20 0.35
PPIA P62937 1/20 0.35

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
SCHEMBL7697791 0.90 KLK7 (0.39) NR1H2NR1H3GRM2CHRM3CTSB
SCHEMBL7697794 0.90 KLK7 (0.39) NR1H2NR1H3GRM2CHRM3CTSB
SCHEMBL7704825 0.81 LMNA (0.35) MEN1KMT2AKLK7
SCHEMBL31486428 0.80 KLK7 (0.49) NR1H2NR1H3MEN1KMT2AKLK7
SCHEMBL5065670 0.80 KLK7 (0.49) NR1H2NR1H3MEN1KMT2AKLK7
SCHEMBL8669568 0.80 KLK7 (0.49) NR1H2NR1H3MEN1KMT2AKLK7
SCHEMBL30387509 0.79 FKBP1A (0.39) KLK7
SCHEMBL7699900 0.78 KLK7 (0.43) NR1H2NR1H3KMT2AKLK7
SCHEMBL5204187 0.75 OPRK1 (0.44) KLK7
SCHEMBL7703731 0.75 P2RX3 (0.39) MEN1KMT2AKLK7

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-2002014261-A2 4-SUBSTITUTED D-GLUTAMIC ACID DERIVATIVES FOR USE AS ANTIBIOTIC ELI LILLY AND COMPANY (US) 2002-02-21 WO disclosed