SCHEMBL3826673

SCHEMBL3826673

CC(CF)CC(O)(NCc1cc2cc(N)ncc2[nH]1)C(F)F

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 2/20 0.39
CYP3A4 P08684 2/20 0.39
PGR P06401 1/20 0.39

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
SCHEMBL4044986 0.82 NR3C1 (0.45) NR3C1CYP3A4PGR
SCHEMBL4431839 0.79 CASR (0.43)
SCHEMBL3826671 0.78 NR3C1 (0.45) NR3C1CYP3A4PGR
SCHEMBL3825741 0.75
SCHEMBL3814326 0.74 NR3C1 (0.32) NR3C1CYP3A4
SCHEMBL3817481 0.74 NR3C1 (0.39) NR3C1
SCHEMBL4223561 0.72 NR3C1 (0.35) NR3C1CYP3A4PGR
SCHEMBL4044983 0.70 NR3C1 (0.60) NR3C1CYP3A4PGR
SCHEMBL5801773 0.68 NR3C1 (0.37) NR3C1CYP3A4PGR
SCHEMBL4247139 0.66 NR3C1 (0.43) NR3C1CYP3A4PGR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086921-A2 SYNTHESIS OF SELECTED STEREOISOMERS OF CERTAIN SUBSTITUTED ALCOHOLS Bausch & Lomb Incorporated (US) 2009-08-12 EP disclosed
WO-2008060799-A2 SYNTHESIS OF SELECTED STEREOISOMERS OF CERTAIN SUBSTITUTED ALCOHOLS BAUSCH & LOMB INCORPORATED (US) 2008-05-22 WO disclosed