SCHEMBL8822916

SCHEMBL8822916

CCCC(F)(F)C(=O)CCC[C@H]1[C@H](C)CC(=O)[C@@H]1CC=CCCCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.48
▸ PTGER2 P43116 6/20 0.43
▸ PTGER4 P35408 4/20 0.43
▸ PTGIR P43119 2/20 0.43
▸ PTGER3 P43115 2/20 0.43
▸ NR1I2 O75469 1/20 0.43
▸ ESR1 P03372 1/20 0.43
▸ PGR P06401 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ TBXA2R P21731 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ PTGER1 P34995 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ PTGFR P43088 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ PTGDR2 Q9Y5Y4 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.39
▸ SLCO2A1 Q92959 1/20 0.39

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
SCHEMBL8822913 1.00 HTT (0.48) HTTPTGER2PTGER4PTGIRPTGER3
SCHEMBL8822910 1.00 HTT (0.48) HTTPTGER2PTGER4PTGIRPTGER3
SCHEMBL8822843 0.90 PTGDR2 (0.50) HTTPTGER2PTGER4PTGIRPTGER3
SCHEMBL8822839 0.90 PTGDR2 (0.50) HTTPTGER2PTGER4PTGIRPTGER3
SCHEMBL8822956 0.85 PTGDR2 (0.52) HTTPTGER2PTGER4PTGIRPTGER3
SCHEMBL8822962 0.85 PTGDR2 (0.52) HTTPTGER2PTGER4PTGIRPTGER3
SCHEMBL13236667 0.85 HTT (0.62) HTTPTGER2PTGER4PTGIRPTGER3
SCHEMBL8822841 0.84 PTGDR2 (0.52) HTTPTGER2PTGER4PTGIRPTGER3
SCHEMBL8822844 0.84 PTGDR2 (0.52) HTTPTGER2PTGER4PTGIRPTGER3
SCHEMBL8822838 0.84 PTGDR2 (0.52) HTTPTGER2PTGER4PTGIRPTGER3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0454429-B1 Use of 15-dehydroxy-16-oxoprostaglandin derivatives in the treatment of allergic diseases R TECH UENO LTD (JP) 1997-01-29 — — EP disclosed
EP-0444844-B1 New 15-dehydroxy-16-oxoprostaglandins R TECH UENO LTD (JP) 1995-01-18 — — EP disclosed
US-5221799-A New 15-dehydroxy-16-oxoprostaglandins K.K. UENO SEIYAKU OYO KENKYUJO (JP) 1993-06-22 — — US disclosed
EP-0454429-A2 Use of 15-dehydroxy-16-oxoprostaglandin derivatives in the treatment of allergic diseases Kabushiki Kaisha Ueno Seiyaku Oyo Kenkyujo (JP) 1991-10-30 — — EP disclosed
EP-0444844-A2 New 15-dehydroxy-16-oxoprostaglandins R-TECH UENO LTD. (JP) 1991-09-04 — — EP disclosed
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