SCHEMBL11731627

SCHEMBL11731627

CS(=O)(=O)N(CC#CCCCC(=O)O)CCCC(O)COc1cccc(I)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 2/20 0.37
▸ PTGER1 P34995 2/20 0.37
▸ PTGFR P43088 2/20 0.37
▸ PTGER3 P43115 2/20 0.37
▸ PTGER2 P43116 1/20 0.37
▸ PTGDR Q13258 1/20 0.35
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA4 P22748 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ CYSLTR2 Q9NS75 1/20 0.33
▸ CYSLTR1 Q9Y271 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ FFAR1 O14842 2/20 0.33
▸ ABCB1 P08183 1/20 0.32
▸ FOS P01100 1/20 0.32
▸ JUN P05412 1/20 0.32

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
SCHEMBL11731325 0.90 ADRB2 (0.40) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11726216 0.90 TSHR (0.42) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11728656 0.89 TBXA2R (0.37) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11734070 0.89 ALDH1A1 (0.39) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11727282 0.89 TBXA2R (0.37) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11733964 0.89 CA12 (0.38) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11728772 0.89 TBXA2R (0.37) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11726287 0.87 TBXA2R (0.44) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11727616 0.83 LTA4H (0.39) TBXA2RPTGER1PTGFRPTGER3PTGDR
SCHEMBL11731623 0.83 TBXA2R (0.39) TBXA2RPTGER1PTGFRPTGER3PTGER2

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-4055596-A PHARMACEUTICALS MERCK & CO., INC. (US) 1977-10-25 — — US disclosed
US-3991106-A FOR ESTRUS SYNCHRONIZATION AND TREATMENT OF INFERTILITY MERCK & CO., INC. (US) 1976-11-09 — — US disclosed
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