SCHEMBL9606730

SCHEMBL9606730

CCOC(=O)c1c(C(=O)OCC)c(OCC)c2ccccc2c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
KDM4E B2RXH2 7/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
TSHR P16473 1/20 0.47
MAPT P10636 6/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
GAA P10253 5/20 0.47
HPGD P15428 4/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
MAPK1 P28482 1/20 0.47
MCL1 Q07820 1/20 0.47
HSD17B10 Q99714 1/20 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
SCHEMBL2253345 0.94 CA12 (0.55) ALDH1A1KDM4ESMN1; SMN2CA12CA1
SCHEMBL10058490 0.88 CA12 (0.60) ALDH1A1KDM4ESMN1; SMN2CA12CA1
SCHEMBL3564213 0.88 KDM4E (0.50) ALDH1A1KDM4ESMN1; SMN2CA12CA1
SCHEMBL1590061 0.86 ALDH1A1 (0.55) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL1590733 0.84 KMT2A (0.50) ALDH1A1KDM4ESMN1; SMN2CA12CA1
SCHEMBL3560450 0.84 CA12 (0.45) ALDH1A1KDM4ESMN1; SMN2CA12CA1
SCHEMBL9606731 0.83 KDM4E (0.43) ALDH1A1KDM4ESMN1; SMN2TSHRMAPT
SCHEMBL2295378 0.83 CA12 (0.50) ALDH1A1KDM4ESMN1; SMN2CA12CA1
SCHEMBL9606721 0.82 ALDH1A1 (0.44) ALDH1A1KDM4ESMN1; SMN2CA12CA1
SCHEMBL3571825 0.82 KDM4E (0.52) ALDH1A1KDM4ESMN1; SMN2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2457897-A1 BENZO (F) ISOINDOL-2-YLPHENYL ACETIC ACID DERIVATIVES AS EP4 RECEPTOR AGONISTS Glaxo Group Limited (GB) 2012-05-30 EP disclosed