SCHEMBL8259167

SCHEMBL8259167

COCC1=C(C(=O)OC(C)C)C(c2ccc(C)cc2C(F)(F)F)C(C#N)=C(C)N1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
NR3C2 P08235 3/20 0.49

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
SCHEMBL8261045 0.93 KDM4E (0.54) KDM4ENR3C2
SCHEMBL13587732 0.92 KDM4E (0.53) KDM4ENR3C2
SCHEMBL8261047 0.86 KDM4E (0.52) KDM4ENR3C2
SCHEMBL8261043 0.85 KDM4E (0.55) KDM4ENR3C2
SCHEMBL8261057 0.84 NR3C2 (0.61) KDM4ENR3C2
SCHEMBL4379641 0.84 KDM4E (0.54) KDM4ENR3C2
SCHEMBL8260690 0.83 KDM4E (0.49) KDM4ENR3C2
SCHEMBL8260688 0.83 KDM4E (0.49) KDM4ENR3C2
SCHEMBL8260693 0.82 KDM4E (0.46) KDM4ENR3C2
SCHEMBL13587748 0.82 CACNA1F (0.52)

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-2006066011-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROIDAL RECEPTORS AND CALCIUM CHANNEL ACTIVITIES IRM LLC (BM) 2006-06-22 WO disclosed