SCHEMBL4722882

SCHEMBL4722882

CC(C)(C)OC(=O)ON1CCc2c(c3ccc(Cl)cc3n2CC(=O)O)C1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 3/20 0.53
PTGDR2 Q9Y5Y4 13/20 0.48
PTGER2 P43116 1/20 0.44
PTGDR Q13258 1/20 0.44
AKR1B1 P15121 3/20 0.44
AKR1B10 O60218 2/20 0.44
AKR1A1 P14550 1/20 0.44
CYP2C9 P11712 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
SCHEMBL4721545 0.92 BAZ2B (0.64) BAZ2BPTGDR2PTGER2PTGDRAKR1B1
SCHEMBL4721439 0.89 PTGDR2 (0.59) BAZ2BPTGDR2PTGER2PTGDRAKR1B1
SCHEMBL3077946 0.85 BAZ2B (0.62) BAZ2BPTGDR2PTGER2PTGDRAKR1B1
SCHEMBL4719430 0.83 PTGDR2 (0.59) BAZ2BPTGDR2PTGDRAKR1B1AKR1B10
SCHEMBL4719539 0.82 PTGDR2 (0.58) BAZ2BPTGDR2PTGER2PTGDRCYP2C9
SCHEMBL4720175 0.82 KRAS (0.51) BAZ2BPTGDR2AKR1B1AKR1B10AKR1A1
SCHEMBL4718940 0.80 PTGDR2 (0.60) BAZ2BPTGDR2PTGER2PTGDRCYP2C9
SCHEMBL3089604 0.77 BAZ2B (0.74) BAZ2BPTGDR2PTGER2PTGDRAKR1B1
SCHEMBL3084994 0.74 PTGDR2 (0.68) BAZ2BPTGDR2PTGER2PTGDRAKR1B1
SCHEMBL1120538 0.73 BAZ2B (0.54) BAZ2BPTGDR2PTGER2PTGDRAKR1B1

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-1725553-B1 TETRAHYDROPYRIDOINDOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-05-07 EP claimed