SCHEMBL3684124

SCHEMBL3684124

[CH2]C(O)(CC(C)(C)c1ccc(C)c(C)c1)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
NR1H2 P55055 9/20 0.35
NR1H3 Q13133 9/20 0.35
SHBG P04278 1/20 0.34
NR3C1 P04150 4/20 0.33
PGR P06401 2/20 0.32
NR3C2 P08235 1/20 0.32
APP P05067 1/20 0.32
MLYCD O95822 1/20 0.32
CYP3A4 P08684 1/20 0.32
ESR1 P03372 1/20 0.32

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
SCHEMBL3653019 0.79 NR3C1 (0.35) CNR1CNR2NR1H2NR1H3NR3C1
SCHEMBL3683919 0.78 NR3C1 (0.42) NR3C1PGRNR3C2CYP3A4
SCHEMBL4452422 0.78 NR3C1 (0.49) CYP19A1NR3C1PGRNR3C2CYP3A4
SCHEMBL4430202 0.77 TAAR1 (0.44) NR1H2NR1H3SHBGNR3C1PGR
SCHEMBL3680388 0.76 NR3C1 (0.56) NR3C1PGRNR3C2CYP3A4
SCHEMBL3684692 0.76 NR3C2 (0.43) NR3C1NR3C2
SCHEMBL3658752 0.76 NR3C1 (0.34) NR1H2NR1H3NR3C1PGRNR3C2
SCHEMBL4430210 0.74 PDK1 (0.43) CNR1CNR2NR1H2NR3C2MLYCD
SCHEMBL12126487 0.72 HSD11B1 (0.47) CYP19A1ESR1
SCHEMBL14158802 0.72 L3MBTL1 (0.45) CYP3A4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190431-A2 COMPOSITIONS COMPRISING A DISSOCIATED GLUCOCORTICOID RECEPTOR AGONIST FOR TREATING OR CONTROLLING ANTERIOR-SEGMENT INFLAMMATION Bausch & Lomb Incorporated (US) 2010-06-02 EP disclosed
EP-2051710-A2 COMPOSITIONS AND METHODS FOR TREATING, REDUCING, AMELIORATING, OR ALLEVIATING POSTERIOR-SEGMENT OPHTHALMIC DISEASES Bausch & Lomb Incorporated (US) 2009-04-29 EP disclosed
EP-2051736-A2 COMPOSITIONS COMPRISING A DISSOCIATED GLUCOCORTICOID RECEPTOR AGONIST AND AN IMMUNOSUPPRESSIVE AGENT FOR TREATING DRY EYE Bausch & Lomb Incorporated (US) 2009-04-29 EP disclosed
WO-2009023471-A2 COMPOSITIONS COMPRISING A DISSOCIATED GLUCOCORTICOID RECEPTOR AGONIST FOR TREATING OR CONTROLLING ANTERIOR-SEGMENT INFLAMMATION BAUSCH & LOMB INCORPORATED (US) 2009-02-19 WO disclosed
WO-2008021729-A2 COMPOSITIONS AND METHODS FOR TREATING, REDUCING, AMELIORATING, OR ALLEVIATING POSTERIOR-SEGMENT OPHTHALMIC DISEASES BAUSCH & LOMB INCORPORATED (US) 2008-02-21 WO disclosed
WO-2008005686-A2 COMPOSITIONS COMPRISING A DISSOCIATED GLUCOCORTICOID RECEPTOR AGONIST AND AN IMMUNOSUPPRESSIVE AGENT FOR TREATING DRY EYE BAUSCH & LOMB INCORPORATED (US) 2008-01-10 WO disclosed