SCHEMBL8308412

SCHEMBL8308412

CC(C)(C)OC(=O)C(CON)(Oc1cccc(C2=NC[C@@H](c3ccccc3)O2)c1F)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 1/20 0.33
SCN9A Q15858 1/20 0.31
RORC P51449 1/20 0.31
KIF11 P52732 1/20 0.31
IMPDH2 P12268 1/20 0.30

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
SCHEMBL8304077 0.75 P2RY1 (0.37) P2RY1IMPDH2
SCHEMBL8306290 0.74 L3MBTL1 (0.33) P2RY1
SCHEMBL8303630 0.71 ALOX5AP (0.38)
SCHEMBL8303628 0.71 ALOX5AP (0.38)
SCHEMBL8303539 0.68 KDM1A (0.39)
SCHEMBL8303541 0.68 KDM1A (0.39)
SCHEMBL8304082 0.63 P2RY1 (0.36) P2RY1IMPDH2
SCHEMBL27848552 0.62 HDAC3 (0.41) IMPDH2
SCHEMBL27806570 0.62 HDAC3 (0.41) IMPDH2
SCHEMBL34460861 0.60 TSHR (0.50) P2RY1IMPDH2

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-0832078-B1 N-HYDROXYUREAS AS ANTIINFLAMMATORY AGENTS PFIZER (US) 1999-10-20 EP disclosed