SCHEMBL11602425

SCHEMBL11602425

O=C(O)CCC/C=C\C[C@@H]1[C@@H](/C=C/C2(COc3ccc(Cl)cc3)OCCO2)[C@H](O)C[C@@H]1O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 13/20 0.57
PTGER3 P43115 6/20 0.57
TBXA2R P21731 3/20 0.57
PTGER1 P34995 3/20 0.57
THRB P10828 1/20 0.56
PTGER2 P43116 1/20 0.56
ABCC4 O15439 1/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
PTGER4 P35408 1/20 0.46
PTGDR Q13258 1/20 0.46
SLCO2A1 Q92959 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
SCHEMBL11602885 1.00 PTGFR (0.57) PTGFRPTGER3TBXA2RPTGER1THRB
Etiproston SCHEMBL11602481 0.92 PTGFR (0.67) PTGFRPTGER3TBXA2RPTGER1THRB
Etiproston SCHEMBL571117 0.92 PTGFR (0.67) PTGFRPTGER3TBXA2RPTGER1THRB
Etiproston SCHEMBL11603831 0.92 PTGFR (0.67) PTGFRPTGER3TBXA2RPTGER1THRB
Etiproston SCHEMBL12495605 0.92 PTGFR (0.67) PTGFRPTGER3TBXA2RPTGER1THRB
Etiproston SCHEMBL12495609 0.92 PTGFR (0.67) PTGFRPTGER3TBXA2RPTGER1THRB
Etiproston SCHEMBL11602088 0.92 PTGFR (0.67) PTGFRPTGER3TBXA2RPTGER1THRB
SCHEMBL11601015 0.92 PTGFR (0.57) PTGFRPTGER3TBXA2RPTGER1THRB
SCHEMBL11602179 0.92 PTGFR (0.57) PTGFRPTGER3TBXA2RPTGER1THRB
Lanproston SCHEMBL2109085 0.90 PTGFR (0.70) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4088775-A PROSTAGLANDINS WITH LONG LASTING ACTIVITY SCHERING AKTIENGESELLSCHAFT (DT) 1978-05-09 US claimed
US-4088775-A PROSTAGLANDINS WITH LONG LASTING ACTIVITY SCHERING AKTIENGESELLSCHAFT (DT) 1978-05-09 US disclosed