SCHEMBL9017274

SCHEMBL9017274

CC1(O)CCc2c(cccc2OCC(=O)O)C1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 15/20 0.57
PTGER1 P34995 1/20 0.57
PTGER3 P43115 1/20 0.57
PTGDR Q13258 1/20 0.57
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CD69 Q07108 1/20 0.44
GLA P06280 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42

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
SCHEMBL9017269 1.00 PTGIR (0.57) PTGIRPTGER1PTGER3PTGDRPOLB
SCHEMBL7777521 1.00 PTGIR (0.57) PTGIRPTGER1PTGER3PTGDRPOLB
SCHEMBL9017289 0.85 PTGER1 (0.46) PTGIRPTGER1PTGER3PTGDRPOLB
SCHEMBL7777519 0.84 PTGIR (0.57) PTGIRPTGER1PTGER3PTGDRPOLB
SCHEMBL9017268 0.84 PTGIR (0.57) PTGIRPTGER1PTGER3PTGDRPOLB
SCHEMBL9017265 0.84 PTGIR (0.57) PTGIRPTGER1PTGER3PTGDRPOLB
SCHEMBL3479749 0.77 RXRB (0.66) PTGIRPTGER1PTGER3PTGDRPOLB
SCHEMBL28548896 0.76 RXRB (0.64) PTGIRPTGER1PTGER3PTGDRPOLB
SCHEMBL9017278 0.75 PTGIR (0.60) PTGIRPTGER1PTGER3PTGDRPOLB
SCHEMBL7772434 0.75 PTGIR (0.76) PTGIRPTGER1PTGER3PTGDR

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