Sugi Predict

Sugi Predict / Compounds / SCHEMBL1680338

SCHEMBL1680338

SCHEMBL1680338

CC(C)(CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)c1cc(F)ccc1O.COc1ccc(F)cc1C(C)(C)CC(O)(Cc1[nH]c2cnccc2c1C)C(F)(F)F.COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cnccc2[nH]1)C(F)(F)F

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 20/20 0.73
▸ NR3C2 P08235 14/20 0.73
▸ PGR P06401 11/20 0.73
▸ CYP3A4 P08684 2/20 0.61

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
SCHEMBL291973 0.87 NR3C1 (0.80) NR3C1NR3C2PGRCYP3A4
SCHEMBL290538 0.85 NR3C1 (1.00) NR3C1NR3C2PGR
SCHEMBL5647236 0.85 NR3C1 (1.00) NR3C1NR3C2PGRCYP3A4
SCHEMBL291473 0.85 NR3C1 (1.00) NR3C1NR3C2PGRCYP3A4
SCHEMBL291224 0.84 NR3C1 (0.84) NR3C1NR3C2PGRCYP3A4
SCHEMBL291684 0.83 NR3C1 (0.70) NR3C1NR3C2PGRCYP3A4
SCHEMBL15104425 0.83 NR3C1 (0.71) NR3C1NR3C2PGRCYP3A4
SCHEMBL22279334 0.83 NR3C1 (1.00) NR3C1NR3C2PGRCYP3A4
SCHEMBL291203 0.83 NR3C1 (1.00) NR3C1NR3C2PGRCYP3A4
SCHEMBL299927 0.83 NR3C1 (1.00) 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