SCHEMBL9017294

SCHEMBL9017294

[CH2]CC1c2cccc(OCC(=O)O)c2CCC1(C)O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 16/20 0.49
PTGER1 P34995 1/20 0.42
PTGER3 P43115 1/20 0.42
PTGDR Q13258 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GLA P06280 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL9017278 0.84 PTGIR (0.60) PTGIRPTGER1PTGER3PTGDRPTGDR2
SCHEMBL9269788 0.83 PTGIR (0.51) PTGIRPTGER1PTGER3PTGDRPTGDR2
SCHEMBL7776647 0.79 PTGIR (0.64) PTGIRPTGER1PTGER3PTGDRPTGDR2
SCHEMBL9017275 0.77 PTGIR (0.60) PTGIRPTGER1PTGER3PTGDRPTGDR2
SCHEMBL9017321 0.76 PTGIR (0.51) PTGIRPTGER1PTGER3PTGDRPTGDR2
SCHEMBL9017353 0.75 PTGIR (0.49) PTGIRPTGER1PTGER3PTGDRPTGDR2
SCHEMBL9017264 0.73 PTGIR (0.63) PTGIRPTGDR2
SCHEMBL9017268 0.73 PTGIR (0.57) PTGIRPTGER1PTGER3PTGDRPOLB
SCHEMBL9017265 0.73 PTGIR (0.57) PTGIRPTGER1PTGER3PTGDRPOLB
SCHEMBL7777519 0.73 PTGIR (0.57) PTGIRPTGER1PTGER3PTGDRPOLB

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