SCHEMBL13623771

SCHEMBL13623771

COC(=O)C[C@](C)(O)CC(C)(C)c1cc(F)ccc1C

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 20/20 0.51
NR3C2 P08235 11/20 0.44
PGR P06401 7/20 0.44
CYP3A4 P08684 5/20 0.43

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
SCHEMBL379423 0.90 NR3C1 (0.58) NR3C1NR3C2PGRCYP3A4
SCHEMBL379422 0.90 NR3C1 (0.58) NR3C1NR3C2PGRCYP3A4
SCHEMBL10089085 0.85 NR3C1 (0.54) NR3C1NR3C2PGRCYP3A4
SCHEMBL10089057 0.79 NR3C1 (0.44) NR3C1NR3C2PGRCYP3A4
SCHEMBL379408 0.77 NR3C1 (0.61) NR3C1NR3C2PGRCYP3A4
SCHEMBL379407 0.77 NR3C1 (0.61) NR3C1NR3C2PGRCYP3A4
SCHEMBL14587242 0.76 NR3C1 (0.64) NR3C1NR3C2
SCHEMBL379397 0.74 NR3C1 (0.47) NR3C1NR3C2PGRCYP3A4
SCHEMBL5801445 0.73 NR3C1 (0.44) NR3C1NR3C2PGRCYP3A4
SCHEMBL5815655 0.73 NR3C1 (0.44) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009134737-A1 STEREOSELECTIVE SYNTHESIS OF CERTAIN TRIFLUOROMETHYL-SUBSTITUTED ALCOHOLS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-05 WO disclosed