SCHEMBL7704825

SCHEMBL7704825

COc1c(CCC2C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2=O)ccc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
PDE10A Q9Y233 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
KLK7 P49862 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
ACHE P22303 1/20 0.32
CCKBR P32239 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
SLC2A1 P11166 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
SCHEMBL7703728 0.81 NR1H2 (0.38) KLK7MEN1KMT2A
SCHEMBL7697794 0.77 KLK7 (0.39) KLK7MEN1KMT2A
SCHEMBL7697791 0.77 KLK7 (0.39) KLK7MEN1KMT2A
SCHEMBL5065670 0.74 KLK7 (0.49) KLK7MEN1KMT2A
SCHEMBL31486428 0.74 KLK7 (0.49) KLK7MEN1KMT2A
SCHEMBL8669568 0.74 KLK7 (0.49) KLK7MEN1KMT2A
SCHEMBL4626477 0.72 POLB (0.52) LMNAHPGDMEN1KMT2A
SCHEMBL6494880 0.71 KLK7 (0.36) KLK7
SCHEMBL7703661 0.71 AGTR2 (0.38) KLK7
SCHEMBL7703658 0.71 AGTR2 (0.38) KLK7

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