SCHEMBL3658637

SCHEMBL3658637

Cc1cccc(C(C)(CF)CC(O)C(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
KCNH2 Q12809 1/20 0.36
ACHE P22303 3/20 0.35
LMNA P02545 1/20 0.34
CETP P11597 1/20 0.34
PTPN5 P54829 1/20 0.33
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
CTSD P07339 1/20 0.32
BACE1 P56817 1/20 0.32
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL3680227 0.85 KCNN4 (0.37) KIF11ACHECETPCTSDBACE1
SCHEMBL5780761 0.83 CYP2C19 (0.42) KIF11CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3948025 0.75 CYP3A4 (0.33) CYP3A4CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL3649794 0.70 CHRM3 (0.37) CYP3A4
SCHEMBL12318017 0.69 ACHE (0.48) KIF11CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3677112 0.69 ACHE (0.52) KIF11CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3658634 0.68 CETP (0.47) KIF11CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL19642634 0.67 CETP (0.43) KIF11CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL13610406 0.67 ACHE (0.44) KIF11CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7042554 0.66 LMNA (0.43) KIF11CYP3A4CYP2D6CYP2C9CYP2C19

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-2203160-A1 PHARMACOLOGICAL ADJUNCTIVE TREATMENT ASSOCIATED WITH GLAUCOMA FILTRATION SURGERY Bausch & Lomb Incorporated (US) 2010-07-07 EP disclosed
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-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-2009042377-A1 PHARMACOLOGICAL ADJUNCTIVE TREATMENT ASSOCIATED WITH GLAUCOMA FILTRATION SURGERY BAUSCH & LOMB INCORPORATED (US) 2009-04-02 WO 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-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