SCHEMBL2653357

SCHEMBL2653357

CCCOc1cc(O)cc(C(=O)Nc2ccc(C(=O)OC)cn2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
NFKB1 P19838 1/20 0.56
CASP3 P42574 1/20 0.56
RAB9A P51151 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
GCK P35557 11/20 0.51
DEGS1 O15121 4/20 0.49
CHRNB2 P17787 2/20 0.48
CHRNB4 P30926 2/20 0.48
CHRNA3 P32297 2/20 0.48
CHRNA4 P43681 2/20 0.48
RARA P10276 2/20 0.47

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
SCHEMBL2653575 0.86 GCK (0.72) NPC1ALDH1A1LMNANFKB1CASP3
SCHEMBL2653549 0.86 DEGS1 (0.57) NPC1RAB9ASMN1; SMN2GCKDEGS1
SCHEMBL5430262 0.85 GCK (0.72) LMNAGCKDEGS1RARARARB
SCHEMBL2653238 0.84 GCK (0.62) NPC1ALDH1A1LMNANFKB1CASP3
SCHEMBL2654159 0.84 GCK (0.57) GCKRARARARBRARG
SCHEMBL2662189 0.84 GCK (0.57) GCKRARARARBRARG
SCHEMBL2649798 0.83 GCK (0.61) GCKRARARARBRARG
SCHEMBL2662187 0.83 GCK (0.70) GCKRARARARBRARG
SCHEMBL4171403 0.83 GCK (0.70) GCKRARARARBRARG
SCHEMBL2651052 0.82 GCK (0.57) GCKDEGS1RARARARBRARG

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-1697324-A1 BENZOYL AMINO PYRIDYL CARBOXYLIC ACID DERIVATIVES USEFUL AS GLUCOKINASE (GLK) ACTIVATORS AstraZeneca AB (SE) 2006-09-06 EP disclosed
WO-2005054200-A1 BENZOYL AMINO PYRIDYL CARBOXYLIC ACID DERIVATIVES USEFUL AS GLUCOKINASE (GLK) ACTIVATORS ASTRAZENECA AB (SE) 2005-06-16 WO disclosed