SCHEMBL20514923

SCHEMBL20514923

O=C(O)CCC/C=C\C[C@H]1C(=O)CC=C1/C=C/C(O)COc1cccc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 16/20 0.62
PTGER3 P43115 4/20 0.62
ABCC4 O15439 1/20 0.51
ABCB11 O95342 1/20 0.51
TBXA2R P21731 3/20 0.46
PTGER1 P34995 2/20 0.46
THRB P10828 1/20 0.46
PTGER2 P43116 1/20 0.46

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
SCHEMBL1047120 1.00 PTGFR (0.62) PTGFRPTGER3ABCC4ABCB11TBXA2R
SCHEMBL3342430 1.00 PTGFR (0.62) PTGFRPTGER3ABCC4ABCB11TBXA2R
SCHEMBL461619 1.00 PTGFR (0.62) PTGFRPTGER3ABCC4ABCB11TBXA2R
SCHEMBL1047119 1.00 PTGFR (0.62) PTGFRPTGER3ABCC4ABCB11TBXA2R
SCHEMBL461728 0.91 PTGFR (0.51) PTGFRPTGER3ABCC4ABCB11TBXA2R
SCHEMBL1047123 0.91 PTGFR (0.51) PTGFRPTGER3ABCC4ABCB11TBXA2R
SCHEMBL1047121 0.91 PTGFR (0.51) PTGFRPTGER3ABCC4ABCB11TBXA2R
SCHEMBL20377702 0.91 PTGFR (0.51) PTGFRPTGER3ABCC4ABCB11TBXA2R
SCHEMBL20377694 0.90 PTGFR (0.51) PTGFRPTGER3ABCC4ABCB11TBXA2R
SCHEMBL462705 0.90 PTGFR (0.51) 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-3382391-A1 NON-INVASIVE BIOMARKER TO IDENTIFY SUBJECTS AT RISK OF PRETERM DELIVERY NYU Winthrop Hospital (US) 2018-10-03 EP disclosed