SCHEMBL4611447

SCHEMBL4611447

Nc1c(F)cc(OC(=O)CC(=O)O)cc1F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30
CYP19A1 P11511 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
SCHEMBL3052660 0.81 HDAC1 (0.42) HDAC1HDAC6NPC1RAB9ANPSR1
SCHEMBL27872414 0.80 GAA (0.47) HDAC1HDAC6RAB9AKMT2AALDH1A1
SCHEMBL15092197 0.79 SLC1A3 (0.42) NPC1RAB9ANPSR1KMT2AALDH1A1
SCHEMBL27761332 0.77 BCL9 (0.44) HDAC1HDAC6RAB9AKMT2AALDH1A1
SCHEMBL4612031 0.77 BCL9 (0.35) NPC1RAB9AKMT2AALDH1A1LMNA
SCHEMBL15763922 0.75 CES2 (0.43) NPC1RAB9ANPSR1KMT2AALDH1A1
SCHEMBL3176334 0.72 HDAC1 (0.33) HDAC1HDAC6RAB9ALMNAHTT
SCHEMBL2294577 0.72 HDAC1 (0.33) HDAC1HDAC6
SCHEMBL25271873 0.72 KDM4E (0.47) NPC1RAB9AKMT2AALDH1A1LMNA
SCHEMBL28073273 0.72 MAPT (0.47) HDAC6NPC1RAB9AKMT2AALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252833-B2 Benzo (f) isoindol-2-ylphenyl acetic acid derivatives as EP4 receptor agonists GLAXO GROUP LIMITED (GB) 2012-08-28 US disclosed
EP-2457897-A1 BENZO (F) ISOINDOL-2-YLPHENYL ACETIC ACID DERIVATIVES AS EP4 RECEPTOR AGONISTS Glaxo Group Limited (GB) 2012-05-30 EP disclosed
EP-1979316-A1 BENZO (F) ISOINDOL-2-YLPHENYL ACETIC ACID DERIVATIVES AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-10-15 EP disclosed
WO-2007088190-A1 BENZO (F) ISOINDOL-2-YLPHENYL ACETIC ACID DERIVATIVES AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2007-08-09 WO disclosed