SCHEMBL3679775

SCHEMBL3679775

[CH2]C(O)(CC(C)(C)c1cccc(C(C)=NOC)c1)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
HIF1A Q16665 1/20 0.36
GAA P10253 1/20 0.35
POLB P06746 1/20 0.34
ACHE P22303 2/20 0.33
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
NR3C2 P08235 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NR3C1 P04150 1/20 0.32
PGR P06401 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
SCHEMBL6819302 0.77 KMT2A (0.57) NPSR1KMT2AMEN1GAAPOLB
SCHEMBL6819739 0.77 KMT2A (0.57) NPSR1KMT2AMEN1GAAPOLB
SCHEMBL29778306 0.77 KMT2A (0.57) NPSR1KMT2AMEN1GAAPOLB
SCHEMBL4430210 0.77 PDK1 (0.43) NPSR1KMT2AMEN1POLBNR3C2
SCHEMBL18310644 0.75 ACHE (0.47) NPSR1KMT2AMEN1HIF1AGAA
SCHEMBL8274364 0.75 ACHE (0.47) NPSR1KMT2AMEN1HIF1AGAA
SCHEMBL4452422 0.74 NR3C1 (0.49) NR3C2NR3C1PGR
SCHEMBL16942491 0.73 KMT2A (0.42) NPSR1KMT2AMEN1HIF1AGAA
SCHEMBL4430202 0.72 TAAR1 (0.44) HIF1ANR3C2ALDH1A1SMN1; SMN2NR3C1
SCHEMBL14158802 0.72 L3MBTL1 (0.45) GAAPPARGPPARAALDH1A1MAPT

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-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
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