SCHEMBL9606731

SCHEMBL9606731

CCOc1c(C(=O)O)c(C(=O)O)c(C)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
PTGER4 P35408 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
PDE10A Q9Y233 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 2/20 0.40
RECQL P46063 1/20 0.40
GLA P06280 1/20 0.40
DHODH Q02127 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL2299912 0.92 PTGER4 (0.47) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL2300382 0.90 PTGER4 (0.46) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL2300372 0.90 PTGER4 (0.46) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL3564213 0.86 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL3569001 0.84 PTGER4 (0.42) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL11967633 0.84 CASP3 (0.44) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL9606730 0.83 ALDH1A1 (0.49) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL1590143 0.83 ALDH1A1 (0.49) KDM4EALDH1A1HPGDHSD17B10PTGER4
SCHEMBL3564311 0.81 PTGER4 (0.40) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL655431 0.80 PDE10A (0.57) KDM4EALDH1A1HPGDHSD17B10CYP1A2

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-1979316-B1 BENZO (F) ISOINDOL-2-YLPHENYL ACETIC ACID DERIVATIVES AS EP4 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2012-07-11 EP 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