SCHEMBL9718969

SCHEMBL9718969

CC(C)C(C)(C)[Si](C)(C)OC[C@H]1[C@@H](Cc2ccccc2/C=C/C(=O)O)[C@@H]2CC[C@H]1O2

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 12/20 0.36
PTGER2 P43116 11/20 0.36
TBXA2R P21731 9/20 0.36
PTGDR Q13258 5/20 0.36
BACE1 P56817 1/20 0.36
PTGER4 P35408 9/20 0.35
PTGFR P43088 3/20 0.35
PTGER1 P34995 5/20 0.34
PTGIR P43119 2/20 0.34
TBXAS1 P24557 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL9718305 0.78 TBXA2R (0.36) TBXA2R
SCHEMBL9718211 0.74 PTGER3 (0.44) PTGER3PTGER2TBXA2RPTGDRPTGER4
SCHEMBL28566740 0.67 BACE1 (0.69) PTGER3PTGER2TBXA2RPTGDRBACE1
SCHEMBL9718143 0.66 TBXA2R (0.31) TBXA2R
SCHEMBL9718260 0.65 TBXA2R (0.38) TBXA2R
SCHEMBL27706278 0.65 BACE1 (0.42) BACE1TBXAS1KDM4E
SCHEMBL1774349 0.64 PTGER3 (0.52) PTGER3PTGER2TBXA2RPTGDRPTGER4
SCHEMBL29045408 0.63 PTGER3 (0.52) PTGER3PTGER2TBXA2RPTGDRPTGER4
SCHEMBL8573281 0.62 PTGER3 (0.57) PTGER3PTGER2TBXA2RPTGDRPTGER4
SCHEMBL1716473 0.62 PTGER3 (0.56) PTGER3PTGER2TBXA2RPTGDRPTGER4

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
US-5153327-A 7-Oxabicycloheptyl substituted heterocyclic amide or ester prostaglandin analogs useful in the treatment of thrombotic and vasospastic disease E. R. SQUIBB & SONS, INC. (US) 1992-10-06 US disclosed