SCHEMBL10429526

SCHEMBL10429526

CC(=O)OC=C1C(=O)N2C(C(=O)O)=CCS[C@@H]12

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.32
PGR P06401 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL3949605 0.76 KDM4E (0.33) NR1I2PGRPTGS2
SCHEMBL3949607 0.76 KDM4E (0.33) NR1I2PGRPTGS2
SCHEMBL4048933 0.69 KDM4E (0.30) NR1I2PGRPTGS2
SCHEMBL11451039 0.66 POLB (0.34)
SCHEMBL7636710 0.64 NR1I2 (0.39) NR1I2PGRPTGS2
SCHEMBL10589887 0.64 KDM4E (0.39) NR1I2PGRPTGS2
SCHEMBL6066202 0.63 NR1I2 (0.42) NR1I2PGRPTGS2
SCHEMBL11687421 0.63 NR1I2 (0.44) NR1I2PGRPTGS2
SCHEMBL11687416 0.63 NR1I2 (0.44) NR1I2PGRPTGS2
SCHEMBL3188369 0.62 KDM4E (0.34) NR1I2PGRPTGS2

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
EP-0382411-A2 Delivery of cytotoxic agents ELI LILLY AND COMPANY (US) 1990-08-16 EP disclosed