SCHEMBL4456598

SCHEMBL4456598

[CH2]C(O)(CC1(C)CCOc2ccc(F)cc21)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 7/20 0.45
AKR1B10 O60218 1/20 0.41
MAPT P10636 1/20 0.41
AKR1A1 P14550 1/20 0.41
RARA P10276 2/20 0.33
RARB P10826 2/20 0.33
RARG P13631 2/20 0.33
MAP3K14 Q99558 1/20 0.32
APP P05067 2/20 0.32
BACE1 P56817 2/20 0.32
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
NR3C2 P08235 1/20 0.32
CYP26A1 O43174 1/20 0.32
CYP26B1 Q9NR63 1/20 0.32
RIPK1 Q13546 1/20 0.32
KIF11 P52732 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
SCHEMBL3421841 0.81 AKR1B1 (0.42) AKR1B1AKR1B10MAPTAKR1A1APP
SCHEMBL13160455 0.81 AKR1B1 (0.41) AKR1B1AKR1B10MAPTAKR1A1NR3C1
SCHEMBL3428327 0.77 AKR1B1 (0.46) AKR1B1AKR1B10MAPTAKR1A1APP
SCHEMBL3426749 0.77 AKR1B1 (0.55) AKR1B1AKR1B10MAPTAKR1A1RIPK1
SCHEMBL3424437 0.74 AKR1B1 (0.47) AKR1B1AKR1B10MAPTAKR1A1RARA
SCHEMBL12188672 0.74 AKR1B1 (0.57) AKR1B1AKR1B10MAPTAKR1A1RARA
SCHEMBL3424115 0.74 NR3C1 (0.61) NR3C1PGRNR3C2
SCHEMBL3428145 0.73 NR3C1 (0.61) AKR1B1NR3C1PGRNR3C2KIF11
SCHEMBL3426706 0.73 AKR1B1 (0.48) AKR1B1AKR1B10MAPTAKR1A1RARA
SCHEMBL3424941 0.73 AKR1B1 (0.51) AKR1B1AKR1B10MAPTAKR1A1RARA

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-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-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