SCHEMBL4612031

SCHEMBL4612031

O=C(O)CC(=O)Oc1cc(F)c([N+](=O)[O-])c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.35
CTNNB1 P35222 1/20 0.35
KMT2A Q03164 7/20 0.33
MEN1 O00255 5/20 0.33
ALDH1A1 P00352 3/20 0.33
MITF O75030 1/20 0.33
HPGD P15428 1/20 0.33
MC4R P32245 1/20 0.33
MAPT P10636 7/20 0.32
LMNA P02545 4/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
HTT P42858 1/20 0.32
ALOX5 P09917 1/20 0.32
PIM1 P11309 2/20 0.32
KDM4E B2RXH2 3/20 0.32
MAPK1 P28482 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PKM P14618 1/20 0.31

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
SCHEMBL2937774 0.81 ATM (0.46) BCL9CTNNB1KMT2AMEN1ALDH1A1
SCHEMBL28891473 0.79 BCL9 (0.36) BCL9CTNNB1KMT2AMEN1ALDH1A1
SCHEMBL28418706 0.77 CYP4F2 (0.44) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL4611447 0.77 HDAC1 (0.42) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL2300345 0.76 ALDH1A1 (0.35) BCL9CTNNB1KMT2AMEN1ALDH1A1
SCHEMBL2730882 0.75 NCEH1 (0.36) KMT2AMEN1ALDH1A1HPGDMAPT
SCHEMBL15092197 0.73 SLC1A3 (0.42) KMT2AMEN1ALDH1A1HPGDMAPT
SCHEMBL2729260 0.73 MEN1 (0.39) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL18281479 0.72 BCL9 (0.64) BCL9CTNNB1KMT2AMEN1ALDH1A1
SCHEMBL3186157 0.72 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1HPGDMAPT

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