SCHEMBL3655595

SCHEMBL3655595

[CH2]C(O)(CC(C)(C)c1cc(C(C)=O)ccc1O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
ESRRA P11474 2/20 0.41
HSP90AA1 P07900 5/20 0.40
HSP90AB1 P08238 4/20 0.39
NR3C1 P04150 8/20 0.38
NR3C2 P08235 7/20 0.38
PGR P06401 6/20 0.38
AR P10275 1/20 0.38
HTT P42858 1/20 0.38
POLB P06746 1/20 0.37
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
RARG P13631 1/20 0.36
HSD17B1 P14061 1/20 0.35
HSP90B1 P14625 1/20 0.35

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
SCHEMBL3689211 0.83 NR3C2 (0.46) NR3C1NR3C2
SCHEMBL3652962 0.80 NR3C1 (0.51) NR3C1NR3C2PGRAR
SCHEMBL840795 0.74 KIF11 (0.51) PKMESRRAHSP90AA1HSP90AB1HTT
SCHEMBL30440431 0.74 KIF11 (0.51) PKMESRRAHSP90AA1HSP90AB1HTT
SCHEMBL4460507 0.74 NR3C1 (0.58) NR3C1NR3C2PGR
SCHEMBL1730526 0.72 ESRRA (0.68) PKMESRRAHSP90AA1HSP90AB1HTT
SCHEMBL4452010 0.72 ERN1 (0.40) NR3C1NR3C2PGR
SCHEMBL3656890 0.71 NR3C1 (0.62) NR3C1NR3C2PGR
SCHEMBL10411348 0.69 CNR1 (0.46) PKMESRRAHSP90AA1HSP90AB1HTT
SCHEMBL3810030 0.69 POLB (0.52) PKMESRRAHSP90AA1HSP90AB1HTT

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-2061444-A2 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, AMELIORATING, OR PREVENTING ALLERGY Bausch & Lomb Incorporated (US) 2009-05-27 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-2008033655-A2 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, AMELIORATING, OR PREVENTING ALLERGY BAUSCH & LOMB INCORPORATED (US) 2008-03-20 WO disclosed