SCHEMBL9017265

SCHEMBL9017265

[CH2][C@]1(O)CCc2c(cccc2OCC(=O)O)C1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 12/20 0.57
PTGER1 P34995 1/20 0.57
PTGER3 P43115 1/20 0.57
PTGDR Q13258 1/20 0.57
CD69 Q07108 1/20 0.44
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GLA P06280 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL9017268 1.00 PTGIR (0.57) PTGIRPTGER1PTGER3PTGDRCD69
SCHEMBL7777519 1.00 PTGIR (0.57) PTGIRPTGER1PTGER3PTGDRCD69
SCHEMBL7777521 0.84 PTGIR (0.57) PTGIRPTGER1PTGER3PTGDRCD69
SCHEMBL9017269 0.84 PTGIR (0.57) PTGIRPTGER1PTGER3PTGDRCD69
SCHEMBL9017274 0.84 PTGIR (0.57) PTGIRPTGER1PTGER3PTGDRCD69
SCHEMBL9017285 0.84 PTGER1 (0.45) PTGIRPTGER1PTGER3PTGDRRXRA
SCHEMBL3479749 0.77 RXRB (0.66) PTGIRPTGER1PTGER3PTGDRCD69
SCHEMBL28548896 0.76 RXRB (0.64) PTGIRPTGER1PTGER3PTGDRCD69
SCHEMBL9017275 0.75 PTGIR (0.60) PTGIRPTGER1PTGER3PTGDRKDM4E
SCHEMBL9017321 0.74 PTGIR (0.51) PTGIRPTGER1PTGER3PTGDRKDM4E

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