SCHEMBL3653019

SCHEMBL3653019

[CH2]C(O)(CC(C)(C)c1cc(C)cc(C)c1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 6/20 0.35
NR3C2 P08235 3/20 0.35
PGK1 P00558 1/20 0.34
PGK2 P07205 1/20 0.34
PGR P06401 2/20 0.32
CNR1 P21554 3/20 0.32
CNR2 P34972 3/20 0.32
HSPA5 P11021 1/20 0.30
CA2 P00918 1/20 0.30
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30

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
SCHEMBL3658752 0.82 NR3C1 (0.34) NR3C1NR3C2PGRNR1H2NR1H3
SCHEMBL3684124 0.79 CYP19A1 (0.36) NR3C1NR3C2PGRCNR1CNR2
SCHEMBL4430202 0.76 TAAR1 (0.44) NR3C1NR3C2PGRNR1H2NR1H3
SCHEMBL4452422 0.73 NR3C1 (0.49) NR3C1NR3C2PGR
SCHEMBL3683919 0.73 NR3C1 (0.42) NR3C1NR3C2PGR
SCHEMBL14159637 0.72 NR3C1 (0.40) NR3C1NR3C2PGR
SCHEMBL4430210 0.70 PDK1 (0.43) NR3C2CNR1CNR2NR1H2
SCHEMBL12126413 0.70 PGK1 (0.42) PGK1PGK2CA2
SCHEMBL3684692 0.69 NR3C2 (0.43) NR3C1NR3C2
SCHEMBL3680388 0.69 NR3C1 (0.56) NR3C1NR3C2PGR

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