SCHEMBL21939579

SCHEMBL21939579

O=C(CCC/C=C\C[C@@H]1[C@@H](/C=C/C(O)COc2cccc(C(F)(F)F)c2)[C@H](O)C[C@@H]1O)OCCOCCO[N+](=O)[O-]

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTGFR P43088 14/20 0.71
▸ PTGER3 P43115 4/20 0.71
▸ ABCC4 O15439 2/20 0.71
▸ ABCB11 O95342 1/20 0.71
▸ TBXA2R P21731 4/20 0.56
▸ PTGER1 P34995 2/20 0.56
▸ THRB P10828 1/20 0.56
▸ PTGER2 P43116 1/20 0.56
▸ PTGS1 P23219 1/20 0.48

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
SCHEMBL12119570 1.00 PTGFR (0.71) PTGFRPTGER3ABCC4ABCB11TBXA2R
SCHEMBL21546227 0.98 PTGFR (0.74) PTGFRPTGER3ABCC4ABCB11TBXA2R
SCHEMBL12119717 0.98 PTGFR (0.74) PTGFRPTGER3ABCC4ABCB11TBXA2R
SCHEMBL13949002 0.97 PTGFR (0.69) PTGFRPTGER3ABCC4ABCB11TBXA2R
SCHEMBL12119609 0.95 PTGFR (0.73) PTGFRPTGER3ABCC4ABCB11TBXA2R
SCHEMBL12119720 0.95 PTGFR (0.73) PTGFRPTGER3ABCC4ABCB11TBXA2R
SCHEMBL12119709 0.94 PTGFR (0.72) PTGFRPTGER3ABCC4ABCB11TBXA2R
SCHEMBL12119611 0.92 PTGFR (0.69) PTGFRPTGER3ABCC4ABCB11TBXA2R
SCHEMBL13327998 0.92 PTGFR (0.69) PTGFRPTGER3ABCC4ABCB11TBXA2R
SCHEMBL12119620 0.91 PTGFR (0.68) PTGFRPTGER3ABCC4ABCB11TBXA2R

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-3643702-A1 PROSTAGLANDIN DERIVATIVES Nicox S.A. (FR) 2020-04-29 — — EP disclosed
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