SCHEMBL8769841

SCHEMBL8769841

Cc1c(CON=C(c2cnc(-c3ccc(OCc4ccccc4)cc3)nc2)C(F)(F)F)cccc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 18/20 0.43
EPHX1 P07099 1/20 0.40
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
PDCD1 Q15116 3/20 0.38

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
SCHEMBL8769809 0.79 CD274 (0.42) CD274PDCD1
SCHEMBL8769173 0.78 CD274 (0.48) CD274PDCD1
SCHEMBL8769176 0.72 CD274 (0.51) CD274EPHX1PDCD1
SCHEMBL19788528 0.68 CD274 (0.61) CD274PDCD1
SCHEMBL29271887 0.68 CD274 (0.63) CD274PDCD1
SCHEMBL17898332 0.67 CD274 (0.62) CD274PDCD1
SCHEMBL6534828 0.67 LMNA (0.62)
SCHEMBL23078795 0.66 CD274 (0.58) CD274PDCD1
SCHEMBL11060029 0.66 CD274 (0.45) CD274PDCD1
SCHEMBL11060036 0.66 CD274 (0.45) 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