SCHEMBL4718940

SCHEMBL4718940

CC(C)(C)OC(=O)ON1CCc2c(c3cccc(Cl)c3n2CC(=O)O)C1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 17/20 0.60
PTGDR Q13258 6/20 0.54
PTGER2 P43116 3/20 0.47
CYP2C9 P11712 2/20 0.41
BAZ2B Q9UIF8 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL3085501 0.85 PTGDR2 (0.70) PTGDR2PTGDRPTGER2CYP2C9BAZ2B
SCHEMBL4721545 0.80 BAZ2B (0.64) PTGDR2PTGDRPTGER2BAZ2BHDAC1
SCHEMBL4722882 0.80 BAZ2B (0.53) PTGDR2PTGDRPTGER2CYP2C9BAZ2B
SCHEMBL4719430 0.77 PTGDR2 (0.59) PTGDR2PTGDRCYP2C9BAZ2BHDAC1
SCHEMBL4721439 0.77 PTGDR2 (0.59) PTGDR2PTGDRPTGER2CYP2C9BAZ2B
SCHEMBL4719539 0.77 PTGDR2 (0.58) PTGDR2PTGDRPTGER2CYP2C9BAZ2B
SCHEMBL4720175 0.77 KRAS (0.51) PTGDR2BAZ2BHDAC1HDAC6
SCHEMBL3094291 0.75 PTGDR2 (1.00) PTGDR2PTGDRPTGER2CYP2C9
SCHEMBL3085707 0.72 PTGDR2 (0.81) PTGDR2PTGDRPTGER2CYP2C9
Hydrochloric Acid SCHEMBL3084889 0.71 PTGDR2 (0.58) PTGDR2PTGDRPTGER2HDAC1HDAC6

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