SCHEMBL2565004

SCHEMBL2565004

COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2c(C)nc(C)cc2[nH]1)C(F)(F)F.COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(C)nc(C)c2[nH]1)C(F)(F)F

nearest known ligand 0.87

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 20/20 0.87
CYP3A4 P08684 1/20 0.87
NR3C2 P08235 16/20 0.66
PGR P06401 14/20 0.66

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
SCHEMBL291767 0.94 NR3C1 (0.75) NR3C1CYP3A4NR3C2PGR
SCHEMBL446911 0.93 NR3C1 (1.00) NR3C1CYP3A4NR3C2PGR
SCHEMBL9987504 0.88 NR3C1 (0.67) NR3C1CYP3A4NR3C2PGR
SCHEMBL292324 0.83 NR3C1 (0.70) NR3C1NR3C2PGR
SCHEMBL6385323 0.83 NR3C1 (0.74) NR3C1CYP3A4NR3C2PGR
SCHEMBL292256 0.83 NR3C1 (0.74) NR3C1CYP3A4NR3C2PGR
SCHEMBL290958 0.82 NR3C1 (0.77) NR3C1CYP3A4NR3C2PGR
SCHEMBL15104425 0.81 NR3C1 (0.71) NR3C1CYP3A4NR3C2PGR
SCHEMBL1932022 0.81 NR3C1 (0.57) NR3C1CYP3A4NR3C2PGR
SCHEMBL9987502 0.81 NR3C1 (0.57) NR3C1CYP3A4NR3C2PGR

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-2051710-B1 COMPOSITIONS AND METHODS FOR TREATING, REDUCING, AMELIORATING, OR ALLEVIATING POSTERIOR-SEGMENT OPHTHALMIC DISEASES BAUSCH & LOMB (US) 2011-11-02 EP disclosed