SCHEMBL7718905

SCHEMBL7718905

O=C(O)COc1cccc2c1CCCC1(COC(=O)N(c3ccccc3)c3ccccc3)CC21

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 17/20 0.65
PTGDR Q13258 6/20 0.58
PTGER3 P43115 3/20 0.58
PTGER1 P34995 2/20 0.58
PTGDR2 Q9Y5Y4 1/20 0.39
PTGER4 P35408 2/20 0.38
PTGER2 P43116 2/20 0.38
TBXAS1 P24557 1/20 0.38

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
SCHEMBL7772442 0.94 PTGIR (0.70) PTGIRPTGDRPTGER3PTGER1PTGDR2
SCHEMBL7777435 0.84 PTGIR (0.57) PTGIRPTGDRPTGER3PTGER1
SCHEMBL7718277 0.83 PTGIR (0.89) PTGIRPTGDRPTGER3PTGER1PTGDR2
SCHEMBL7718894 0.82 PTGIR (0.64) PTGIRPTGDRPTGER3PTGER1PTGDR2
SCHEMBL7720315 0.82 PTGIR (0.44) PTGIRPTGDRPTGER3PTGER1
SCHEMBL7779787 0.79 PTGIR (1.00) PTGIRPTGDRPTGER3PTGER1PTGDR2
SCHEMBL7779689 0.78 PTGIR (0.69) PTGIRPTGDRPTGER3PTGER1PTGDR2
SCHEMBL7776653 0.78 PTGIR (0.81) PTGIRPTGDRPTGER3PTGER1PTGDR2
SCHEMBL7713237 0.77 PTGIR (0.90) PTGIRPTGDRPTGER3PTGER1
SCHEMBL7778533 0.76 PTGIR (0.67) PTGIRPTGDRPTGER3PTGER1PTGDR2

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-6384072-B1 CARBAMYL SUBSTITUTED COMPOUNDS WITH ETHER GROUPS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-07 US disclosed