Sugi Predict

Sugi Predict / Compounds / SCHEMBL1680243

SCHEMBL1680243

SCHEMBL1680243

CC(C)(CC(O)(Cc1[nH]c2ccccc2c1C#N)C(F)(F)F)c1cc(S(C)(=O)=O)ccc1O.COc1ccc(C)cc1C(C)(C)CC(O)(Cc1cc2c(C)cc(C#N)cc2[nH]1)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 20/20 0.48
▸ NR3C2 P08235 17/20 0.48
▸ PGR P06401 15/20 0.48
▸ CYP3A4 P08684 1/20 0.41

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
SCHEMBL291997 0.85 NR3C1 (0.52) NR3C1NR3C2PGRCYP3A4
SCHEMBL291892 0.83 NR3C1 (0.45) NR3C1NR3C2PGRCYP3A4
SCHEMBL293200 0.82 NR3C1 (0.64) NR3C1NR3C2PGR
SCHEMBL292200 0.80 NR3C1 (0.51) NR3C1NR3C2PGRCYP3A4
SCHEMBL5808450 0.78 NR3C1 (0.51) NR3C1NR3C2PGR
SCHEMBL1635350 0.76 NR3C1 (0.75) NR3C1NR3C2PGR
SCHEMBL9987335 0.76 NR3C1 (0.52) NR3C1NR3C2PGR
SCHEMBL1634805 0.75 NR3C1 (0.61) NR3C1NR3C2PGR
SCHEMBL1634996 0.74 NR3C1 (0.68) NR3C1NR3C2PGR
SCHEMBL27748384 0.74 NR3C1 (0.75) 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
EP-2061444-B1 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, AMELIORATING, OR PREVENTING ALLERGY BAUSCH & LOMB (US) 2011-04-20 — — EP disclosed