SCHEMBL23851385

SCHEMBL23851385

NC[C@H]1CC[C@@H](COCC(=O)O)CC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.50
PLAT P00750 1/20 0.50
LMNA P02545 1/20 0.50
PTGIR P43119 19/20 0.49
PTGDR Q13258 6/20 0.49
PTGER1 P34995 1/20 0.43
PTGER4 P35408 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 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
SCHEMBL6517561 1.00 PLG (0.50) PLGPLATLMNAPTGIRPTGDR
SCHEMBL1118701 1.00 PLG (0.50) PLGPLATLMNAPTGIRPTGDR
SCHEMBL937100 0.89
Formic Acid SCHEMBL28279122 0.82 PTGIR (0.50) PTGIRPTGDRPTGER1PTGER4PTGER3
SCHEMBL2374517 0.82 PTGIR (0.50) PTGIRPTGDRPTGER1PTGER4PTGER3
SCHEMBL2374514 0.82 PTGIR (0.50) PTGIRPTGDRPTGER1PTGER4PTGER3
SCHEMBL6345787 0.81 PTGIR (0.49) LMNAPTGIRPTGDRPTGER1PTGER4
SCHEMBL16888038 0.80 PTGIR (0.49) PTGIRPTGDRPTGER1PTGER4PTGER3
SCHEMBL9132825 0.79 LMNA (0.53) LMNAPTGIRPTGDRPTGER1PTGER4
SCHEMBL2346158 0.79 LMNA (0.53) LMNAPTGIRPTGDRPTGER1PTGER4

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-3884934-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2021-09-29 EP disclosed