SCHEMBL8769809

SCHEMBL8769809

Cc1c(CON=C(c2ccc(OC(F)(F)F)cc2)C(F)(F)F)cccc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 13/20 0.42
PDCD1 Q15116 3/20 0.42
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
GRIN2B Q13224 3/20 0.38
TRPV1 Q8NER1 3/20 0.38
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL11060036 0.84 CD274 (0.45) CD274PDCD1FFAR1FFAR4
SCHEMBL11060029 0.84 CD274 (0.45) CD274PDCD1FFAR1FFAR4
SCHEMBL8769841 0.79 CD274 (0.43) CD274PDCD1
SCHEMBL8769173 0.78 CD274 (0.48) CD274PDCD1
SCHEMBL8769176 0.78 CD274 (0.51) CD274PDCD1
SCHEMBL11057216 0.71 CD274 (0.40) CD274PDCD1
SCHEMBL11057211 0.71 CD274 (0.40) CD274PDCD1
SCHEMBL30531243 0.70 FFAR1 (0.42) CD274PDCD1FFAR1FFAR4TRPV1
SCHEMBL21620376 0.69 CD274 (0.53) CD274PDCD1
SCHEMBL11048772 0.69 CD274 (0.39) CD274PDCD1

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-0792870-A1 Process for the preparation of ketoximethers by coupling with boronic acid derivatives Hoechst Schering AgrEvo GmbH (DE) 1997-09-03 EP disclosed