SCHEMBL9017276

SCHEMBL9017276

CCOC(=O)COc1cccc2c1CC[C@@H](COC(=O)N(c1ccccc1)c1ccccc1)C2O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 18/20 0.52
PTGDR Q13258 8/20 0.42
PTGER3 P43115 2/20 0.42
PTGER1 P34995 1/20 0.42
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER2 P43116 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
SCHEMBL7778572 1.00 PTGIR (0.52) PTGIRPTGDRPTGER3PTGER1ALDH1A1
SCHEMBL7778570 1.00 PTGIR (0.52) PTGIRPTGDRPTGER3PTGER1ALDH1A1
SCHEMBL7776680 1.00 PTGIR (0.52) PTGIRPTGDRPTGER3PTGER1ALDH1A1
SCHEMBL7776682 1.00 PTGIR (0.52) PTGIRPTGDRPTGER3PTGER1ALDH1A1
SCHEMBL7776677 1.00 PTGIR (0.52) PTGIRPTGDRPTGER3PTGER1ALDH1A1
SCHEMBL8487891 0.91 PTGIR (0.49) PTGIRPTGDRPTGER3PTGER1ALDH1A1
SCHEMBL7778607 0.89 PTGIR (0.64) PTGIRPTGDRPTGER3PTGER1PTGER4
SCHEMBL7778660 0.89 PTGIR (0.64) PTGIRPTGDRPTGER3PTGER1PTGER4
SCHEMBL7778604 0.89 PTGIR (0.64) PTGIRPTGDRPTGER3PTGER1PTGER4
SCHEMBL7717821 0.84 PTGIR (0.60) PTGIRPTGDRPTGER3PTGER1PTGER4

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-0749424-A1 NAPHTHALENE DERIVATIVES AS PROSTAGLANDIN I2 AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 EP disclosed