SCHEMBL3828002

SCHEMBL3828002

Cc1ccc(F)cc1C(C)(CF)CC(O)(NCc1cc2cnncc2[nH]1)C(F)F

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 20/20 0.55
NR3C2 P08235 11/20 0.55
PGR P06401 7/20 0.55
CYP3A4 P08684 9/20 0.43
KCNH2 Q12809 1/20 0.40

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
SCHEMBL3826931 0.87 NR3C1 (0.48) NR3C1NR3C2PGRCYP3A4KCNH2
SCHEMBL3685155 0.84 NR3C1 (0.63) NR3C1NR3C2PGRCYP3A4KCNH2
SCHEMBL1931910 0.79 NR3C1 (0.74) NR3C1NR3C2PGRCYP3A4KCNH2
SCHEMBL3830789 0.78 NR3C1 (0.48) NR3C1NR3C2PGRCYP3A4
SCHEMBL3823408 0.77 NR3C1 (0.45) NR3C1NR3C2PGRCYP3A4
SCHEMBL6669693 0.74 NR3C1 (0.64) NR3C1NR3C2PGRCYP3A4
SCHEMBL4555711 0.72 NR3C1 (0.54) NR3C1NR3C2PGRCYP3A4KCNH2
SCHEMBL291130 0.71 NR3C1 (1.00) NR3C1NR3C2PGRCYP3A4KCNH2
SCHEMBL3752990 0.71 NR3C1 (0.49) NR3C1NR3C2PGRCYP3A4KCNH2
SCHEMBL4555971 0.71 NR3C1 (0.64) NR3C1NR3C2PGRCYP3A4

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