Sugi Predict

Sugi Predict / Compounds / SCHEMBL27754151

SCHEMBL27754151

SCHEMBL27754151

CC(C)(CC(O)(Cc1cc2cc([N+](=O)[O-])ccc2[nH]1)C(F)(F)F)c1cc(F)ccc1O.COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccc(C(N)=O)cc2[nH]1)C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 20/20 0.61
▸ NR3C2 P08235 16/20 0.61
▸ PGR P06401 14/20 0.61
▸ CYP3A4 P08684 2/20 0.52

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
SCHEMBL27757425 0.93 NR3C1 (0.53) NR3C1NR3C2PGRCYP3A4
SCHEMBL9988027 0.88 NR3C1 (0.74) NR3C1NR3C2PGR
SCHEMBL1635118 0.88 NR3C1 (0.79) NR3C1NR3C2PGRCYP3A4
SCHEMBL293443 0.87 NR3C1 (0.81) NR3C1NR3C2PGRCYP3A4
SCHEMBL292412 0.85 NR3C1 (0.81) NR3C1NR3C2PGRCYP3A4
SCHEMBL291098 0.85 NR3C1 (0.65) NR3C1NR3C2PGRCYP3A4
SCHEMBL447415 0.85 NR3C1 (0.66) NR3C1NR3C2PGRCYP3A4
SCHEMBL290370 0.80 NR3C1 (0.82) NR3C1NR3C2PGRCYP3A4
SCHEMBL1633429 0.79 NR3C1 (0.81) NR3C1NR3C2PGRCYP3A4
SCHEMBL290758 0.78 NR3C1 (0.82) 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
CN-101522187-A Compositions and methods for treating, reducing, ameliorating, or alleviating posterior-segment ophthalmic diseases BAUSCH & LOMB (US) 2009-09-02 — — CN disclosed
CN-101522196-A Treatment of infections and their sequelae with combined isolated glucocorticoid receptor agonists and anti-infective agents BAUSCH & LOMB (US) 2009-09-02 — — CN disclosed