Iloprost

Iloprost

SCHEMBL9769188

CC#CC[C@@H](C)[C@@H](O)/C=C/[C@@H]1[C@H]2CC(=CCCCC(=O)O)C[C@H]2C[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PTGIR

The experimentally established mechanism targets of Iloprost. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGIR known ✓ P43119 2/20 1.00
PTGER3 P43115 2/20 1.00
PTGER2 P43116 2/20 1.00
PTGER1 P34995 1/20 1.00
PTGDR Q13258 1/20 1.00
PPARD Q03181 2/20 0.64
PPARA Q07869 2/20 0.64
PPARG P37231 1/20 0.64
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
TBXA2R P21731 12/20 0.45
ALDH1A1 P00352 1/20 0.45
PTGER4 P35408 2/20 0.43
KCNH2 Q12809 1/20 0.37

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
Iloprost SCHEMBL9769181 1.00 PTGIR (1.00) PTGIRPTGER3PTGER2PTGER1PTGDR
Iloprost SCHEMBL4357 1.00 PTGIR (1.00) PTGIRPTGER3PTGER2PTGER1PTGDR
Iloprost SCHEMBL9718500 1.00 PTGIR (1.00) PTGIRPTGER3PTGER2PTGER1PTGDR
Iloprost SCHEMBL21509111 1.00 PTGIR (1.00) PTGIRPTGER3PTGER2PTGER1PTGDR
Iloprost SCHEMBL21509108 1.00 PTGIR (1.00) PTGIRPTGER3PTGER2PTGER1PTGDR
Iloprost SCHEMBL21509107 1.00 PTGIR (1.00) PTGIRPTGER3PTGER2PTGER1PTGDR
Iloprost SCHEMBL21509137 1.00 PTGIR (1.00) PTGIRPTGER3PTGER2PTGER1PTGDR
Iloprost SCHEMBL21509174 1.00 PTGIR (1.00) PTGIRPTGER3PTGER2PTGER1PTGDR
Iloprost SCHEMBL20687610 1.00 PTGIR (1.00) PTGIRPTGER3PTGER2PTGER1PTGDR
Iloprost SCHEMBL15955636 1.00 PTGIR (1.00) PTGIRPTGER3PTGER2PTGER1PTGDR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5049582-A Prostacyclin derivatives with cytoprotective effect on liver, pancreas and kidney SCHERING AKTIENGESELLSCHAFT (DE) 1991-09-17 US disclosed
US-4631276-A Prostaglandins and prostacyclins, process for their preparation and their use as medicaments SCHERING AKTIENGESELLSCHAFT (DE) 1986-12-23 US disclosed
US-4468395-A Prostaglandins and prostacyclins, processer for their preparation and their use as medicaments SCHERING, AKTIENGESELLSCHAFT (DE) 1984-08-28 US disclosed