SCHEMBL11731623

SCHEMBL11731623

O=C(O)CCCC#CCNS(=O)(=O)CCCCC(O)COc1cccc(I)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 2/20 0.39
▸ PTGER1 P34995 2/20 0.39
▸ PTGFR P43088 2/20 0.39
▸ PTGER3 P43115 2/20 0.39
▸ PTGER2 P43116 1/20 0.39
▸ PTGDR Q13258 1/20 0.37
▸ FFAR1 O14842 2/20 0.35
▸ ADRB2 P07550 4/20 0.35
▸ ADRB1 P08588 3/20 0.35
▸ ADRB3 P13945 2/20 0.35
▸ ABCB1 P08183 2/20 0.34
▸ KAT6A Q92794 1/20 0.33
▸ FOS P01100 1/20 0.33
▸ JUN P05412 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYSLTR2 Q9NS75 1/20 0.33
▸ CYSLTR1 Q9Y271 1/20 0.33

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
SCHEMBL11726209 0.91 KDM4E (0.44) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11731322 0.91 ADRB2 (0.45) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11734063 0.90 TBXA2R (0.40) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11727274 0.90 TBXA2R (0.38) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11728653 0.89 TBXA2R (0.38) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11733959 0.89 MAPK1 (0.41) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11728763 0.88 TBXA2R (0.37) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11726284 0.88 TBXA2R (0.45) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11727609 0.83 LTA4H (0.38) TBXA2RPTGER1PTGFRPTGER3PTGDR
SCHEMBL11731627 0.83 TBXA2R (0.37) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4055596-A PHARMACEUTICALS MERCK & CO., INC. (US) 1977-10-25 — — US disclosed
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