SCHEMBL5654965

SCHEMBL5654965

COc1c2c(cc3ccccc13)C(=O)OC2

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 12/20 0.64
PDE1A P54750 1/20 0.52
PDE1B Q01064 1/20 0.52
PDE3B Q13370 1/20 0.52
PDE1C Q14123 1/20 0.52
PDE3A Q14432 1/20 0.52
TOP2A P11388 1/20 0.45
ERN1 O75460 1/20 0.42
PTGES O14684 1/20 0.42
ACHE P22303 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL9861324 0.76 ALOX5 (0.63) ALOX5PDE1APDE1BPDE3BPDE1C
SCHEMBL8684158 0.74 CYP3A4 (0.57) ALOX5PDE1APDE1BPDE3BPDE1C
SCHEMBL16272594 0.74 ALOX5 (1.00) ALOX5PDE1APDE1BPDE3BPDE1C
SCHEMBL4916303 0.72 ALDH1A1 (0.44) ALOX5ERN1PTGES
SCHEMBL4110681 0.71 KDM4E (0.57) PDE1APDE1BPDE3BPDE1CPDE3A
SCHEMBL28344754 0.71 CYP3A4 (0.53) ALOX5PDE1APDE1BPDE3BPDE1C
SCHEMBL30949367 0.70 ALDH1A1 (0.67) ALOX5ERN1PTGES
SCHEMBL599396 0.70 ALDH1A1 (0.67) ALOX5ERN1PTGES
SCHEMBL20168410 0.70 KCNJ1 (0.44) ALOX5PDE1APDE1BPDE3BPDE1C
SCHEMBL30751840 0.70 KCNJ1 (0.44) ALOX5PDE1APDE1BPDE3BPDE1C

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
US-7166631-B2 Benzo[f]isoindole derivatives with affinity to the EP4 receptor GLAXO GROUP LIMITED (GB) 2007-01-23 US disclosed