SCHEMBL9017264

SCHEMBL9017264

[CH2]CC1CCCc2c(OCC(=O)O)cccc21

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 11/20 0.63
TBXAS1 P24557 1/20 0.55
PTGDR2 Q9Y5Y4 2/20 0.51
KDM4C Q9H3R0 2/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL9050868 0.88 PTGIR (0.64) PTGIRTBXAS1PTGDR2KDM4CKDM4E
SCHEMBL9155513 0.87 PTGIR (0.69) PTGIRTBXAS1PTGDR2KDM4C
SCHEMBL9155480 0.86 PTGIR (0.68) PTGIRTBXAS1PTGDR2KDM4C
SCHEMBL8858587 0.85 PTGIR (0.72) PTGIRTBXAS1PTGDR2
SCHEMBL9151307 0.82 PTGIR (0.63) PTGIRTBXAS1PTGDR2KDM4C
SCHEMBL1838407 0.82 PTGIR (0.56) PTGIRTBXAS1PTGDR2
SCHEMBL1838402 0.82 PTGIR (0.56) PTGIRTBXAS1PTGDR2
SCHEMBL8858726 0.82 PTGIR (0.56) PTGIRTBXAS1PTGDR2KDM4EALDH1A1
SCHEMBL8858484 0.81 PTGIR (0.61) PTGIRTBXAS1PTGDR2
SCHEMBL9050622 0.80 PTGIR (0.62) PTGIRTBXAS1PTGDR2

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