SCHEMBL11728772

SCHEMBL11728772

CN(C)c1cccc(OCC(O)CCCN(CC#CCCCC(=O)O)S(C)(=O)=O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

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
▸ ADAMTS4 O75173 1/20 0.35
▸ HIF1A Q16665 1/20 0.34
▸ 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
▸ FFAR1 O14842 1/20 0.32
▸ MTNR1A P48039 1/20 0.32
▸ MTNR1B P49286 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ TP53 P04637 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 0.89 ADRB2 (0.40) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11726216 0.89 TSHR (0.42) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11734070 0.89 ALDH1A1 (0.39) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11727282 0.89 TBXA2R (0.37) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11728656 0.89 TBXA2R (0.37) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11731627 0.89 TBXA2R (0.37) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11733964 0.88 CA12 (0.38) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11725189 0.87 TBXA2R (0.44) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11728763 0.83 TBXA2R (0.37) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11727616 0.83 LTA4H (0.39) TBXA2RPTGER1PTGFRPTGER3PTGDR

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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