SCHEMBL9987339

SCHEMBL9987339

COc1ccc(C)cc1C(C)(C)CC(O)(Cc1cc2c(C)cc(C#N)cc2n1CC(C)(CC(O)(Cc1ccnc2ccccc12)C(F)(F)F)c1ccccc1C)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 20/20 0.43
NR3C2 P08235 16/20 0.43
PGR P06401 10/20 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
SCHEMBL9987335 0.82 NR3C1 (0.52) NR3C1NR3C2PGR
SCHEMBL5780566 0.79 NR3C1 (0.61) NR3C1NR3C2PGR
SCHEMBL5780201 0.72 NR3C1 (0.49) NR3C1NR3C2PGR
SCHEMBL1635043 0.72 NR3C1 (0.59) NR3C1NR3C2PGR
SCHEMBL1634887 0.71 NR3C1 (0.73) NR3C1NR3C2PGR
SCHEMBL292711 0.71 NR3C1 (0.53) NR3C1NR3C2PGR
SCHEMBL1633938 0.70 NR3C1 (0.58) NR3C1NR3C2PGR
SCHEMBL291220 0.68 NR3C1 (0.65) NR3C1NR3C2PGR
SCHEMBL293200 0.68 NR3C1 (0.64) NR3C1NR3C2PGR
SCHEMBL1633747 0.66 NR3C1 (0.62) NR3C1NR3C2PGR

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-2397140-A1 Compositions and methods for treating or preventing glaucoma or progression thereof BAUSCH & LOMB INCORPORATED (US) 2011-12-21 EP disclosed