SCHEMBL8549446

SCHEMBL8549446

CC(=O)OOc1cccc(CCN2CCC[C@@H]2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 13/20 0.64
PTGER4 P35408 4/20 0.40
PTGER3 P43115 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
TBXA2R P21731 1/20 0.39
PTGER2 P43116 1/20 0.39
PTGDR Q13258 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
PTGER1 P34995 1/20 0.37
NR4A2 P43354 2/20 0.37
RXRA P19793 2/20 0.37
RXRB P28702 2/20 0.37
RXRG P48443 1/20 0.37

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
SCHEMBL8546649 1.00 PTGIR (0.64) PTGIRPTGER4PTGER3HRH3TBXA2R
SCHEMBL7487193 0.92 PTGIR (0.72) PTGIRPTGER4PTGER3TBXA2RPTGER2
SCHEMBL8549451 0.92 PTGIR (0.65) PTGIRPTGER4PTGER3HRH3TBXA2R
SCHEMBL8546651 0.92 PTGIR (0.65) PTGIRPTGER4PTGER3HRH3TBXA2R
SCHEMBL7490338 0.92 PTGIR (0.72) PTGIRPTGER4PTGER3TBXA2RPTGER2
SCHEMBL7490346 0.83 PTGIR (0.75) PTGIRPTGER4PTGER3TBXA2RPTGER2
SCHEMBL7487199 0.83 PTGIR (0.75) PTGIRPTGER4PTGER3TBXA2RPTGER2
SCHEMBL8549455 0.79 PTGIR (0.48) PTGIRNR4A2RXRARXRBRXRG
SCHEMBL8546654 0.79 PTGIR (0.48) PTGIRNR4A2RXRARXRBRXRG
SCHEMBL8546568 0.78 PTGIR (0.51) PTGIRPTGER4PTGER3TBXA2RPTGER2

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-0842161-A1 4,5-DIARYL OXAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-05-20 EP disclosed