SCHEMBL20573392

SCHEMBL20573392

O=C(O)CCC/C=C\C[C@@H]1[C@@H](/C=C/C(O)COc2ccccc2)[C@H](O)C[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 15/20 1.00
PTGER3 P43115 6/20 1.00
TBXA2R P21731 3/20 1.00
PTGER1 P34995 2/20 1.00
THRB P10828 1/20 0.82
PTGER2 P43116 1/20 0.82
ABCC4 O15439 2/20 0.68
ABCB11 O95342 1/20 0.62

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
SCHEMBL13426514 1.00 PTGFR (1.00) PTGFRPTGER3TBXA2RPTGER1THRB
SCHEMBL13399765 1.00 PTGFR (1.00) PTGFRPTGER3TBXA2RPTGER1THRB
SCHEMBL3390323 1.00 PTGFR (1.00) PTGFRPTGER3TBXA2RPTGER1THRB
SCHEMBL3368368 1.00 PTGFR (1.00) PTGFRPTGER3TBXA2RPTGER1THRB
SCHEMBL3368364 1.00 PTGFR (1.00) PTGFRPTGER3TBXA2RPTGER1THRB
SCHEMBL13399717 1.00 PTGFR (1.00) PTGFRPTGER3TBXA2RPTGER1THRB
SCHEMBL3368370 1.00 PTGFR (1.00) PTGFRPTGER3TBXA2RPTGER1THRB
Flunoprost SCHEMBL1230709 0.92 PTGFR (0.84) PTGFRPTGER3TBXA2RPTGER1THRB
SCHEMBL11342852 0.92 PTGFR (0.84) PTGFRPTGER3TBXA2RPTGER1THRB
SCHEMBL10988947 0.91 PTGFR (0.83) PTGFRPTGER3TBXA2RPTGER1THRB

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-2349242-B1 AMINO ACID SALTS OF PROSTAGLANDINS NOVAER HOLDINGS INC (US) 2018-12-05 EP disclosed