SCHEMBL9017353

SCHEMBL9017353

[CH2]C12CCc3c(OCC(=O)O)cccc3C1C2

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 16/20 0.49
PTGDR2 Q9Y5Y4 2/20 0.44
PTGER1 P34995 1/20 0.42
PTGER3 P43115 1/20 0.42
PTGDR Q13258 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TBXAS1 P24557 1/20 0.39

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
SCHEMBL9017275 0.80 PTGIR (0.60) PTGIRPTGDR2PTGER1PTGER3PTGDR
SCHEMBL9017321 0.79 PTGIR (0.51) PTGIRPTGDR2PTGER1PTGER3PTGDR
SCHEMBL9017278 0.75 PTGIR (0.60) PTGIRPTGDR2PTGER1PTGER3PTGDR
SCHEMBL9017294 0.75 PTGIR (0.49) PTGIRPTGDR2PTGER1PTGER3PTGDR
SCHEMBL9269788 0.74 PTGIR (0.51) PTGIRPTGDR2PTGER1PTGER3PTGDR
SCHEMBL7772442 0.73 PTGIR (0.70) PTGIRPTGDR2PTGER1PTGER3PTGDR
SCHEMBL9017268 0.73 PTGIR (0.57) PTGIRPTGER1PTGER3PTGDRKDM4E
SCHEMBL9017265 0.73 PTGIR (0.57) PTGIRPTGER1PTGER3PTGDRKDM4E
SCHEMBL7777519 0.73 PTGIR (0.57) PTGIRPTGER1PTGER3PTGDRKDM4E
SCHEMBL9267979 0.72 PTGDR2 (0.49) PTGIRPTGDR2TBXAS1

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 2 patents. 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
WO-1995024393-A1 NAPHTHALENE DERIVATIVES AS PROSTAGLANDIN I2 AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-09-14 WO disclosed