SCHEMBL1415940

SCHEMBL1415940

CC(O)(c1ccc2c(cnn2-c2cccc(O)c2)c1)C(F)(c1ccc(Cl)cc1Cl)C(F)F

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 15/20 0.46
CYP11B2 P19099 4/20 0.44
CYP11B1 P15538 3/20 0.44
PGR P06401 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL1415502 0.91 NR3C1 (0.48) NR3C1CYP11B2CYP11B1
SCHEMBL1414860 0.86 NR3C1 (0.42) NR3C1CYP11B2CYP11B1
SCHEMBL838520 0.80 NR3C1 (0.48) NR3C1CYP11B2CYP11B1PGRHPGD
SCHEMBL837940 0.70 NR3C1 (0.51) NR3C1CYP11B2CYP11B1
SCHEMBL838181 0.70 NR3C1 (0.47) NR3C1CYP11B2CYP11B1PGR
SCHEMBL837594 0.70 NR3C1 (0.51) NR3C1CYP11B2CYP11B1
SCHEMBL4761900 0.70 NR3C1 (0.46) NR3C1CYP11B2CYP11B1
SCHEMBL4719472 0.69 CYP11B1 (0.60) NR3C1CYP11B2CYP11B1
SCHEMBL3659346 0.69 NR3C1 (0.38) NR3C1CYP11B2CYP11B1PGRHPGD
SCHEMBL4277680 0.69 NR3C1 (0.68) NR3C1CYP11B2CYP11B1

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-2205562-B1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-03-16 EP claimed