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Sugi Predict / Compounds / SCHEMBL1680240

SCHEMBL1680240

SCHEMBL1680240

Cc1ccc(F)cc1C(C)(C)C(CC(C)(CC(O)(Cc1cc2cc(OC(C)C)ncc2[nH]1)C(F)(F)F)c1cc(Cl)cc2c1OCC2)C(O)(Cc1cc2cc(C(F)(F)F)ncc2[nH]1)C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 20/20 0.57
▸ CYP3A4 P08684 9/20 0.57
▸ PGR P06401 12/20 0.48
▸ NR3C2 P08235 10/20 0.48
▸ KCNH2 Q12809 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
SCHEMBL9987964 0.91 NR3C1 (0.52) NR3C1CYP3A4PGRNR3C2KCNH2
SCHEMBL1680239 0.90 NR3C1 (0.69) NR3C1CYP3A4PGRNR3C2KCNH2
SCHEMBL293094 0.80 NR3C1 (0.70) NR3C1CYP3A4PGRNR3C2
SCHEMBL9987961 0.79 NR3C1 (0.65) NR3C1CYP3A4PGRNR3C2KCNH2
SCHEMBL291968 0.77 NR3C1 (0.75) NR3C1CYP3A4PGRNR3C2
SCHEMBL292321 0.75 NR3C1 (1.00) NR3C1CYP3A4PGRNR3C2KCNH2
SCHEMBL292562 0.73 NR3C1 (0.73) NR3C1CYP3A4PGRNR3C2
SCHEMBL292934 0.72 NR3C1 (0.72) NR3C1CYP3A4PGRNR3C2
SCHEMBL3690421 0.72 NR3C1 (0.60) NR3C1CYP3A4PGRNR3C2
SCHEMBL1932394 0.72 NR3C1 (0.55) NR3C1CYP3A4PGRNR3C2

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
EP-2397140-A1 Compositions and methods for treating or preventing glaucoma or progression thereof BAUSCH & LOMB INCORPORATED (US) 2011-12-21 — — EP disclosed
EP-2061444-B1 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, AMELIORATING, OR PREVENTING ALLERGY BAUSCH & LOMB (US) 2011-04-20 — — EP disclosed