SCHEMBL11728653

SCHEMBL11728653

CS(=O)(=O)c1cccc(OCC(O)CCCCS(=O)(=O)NCC#CCCCC(=O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 2/20 0.38
▸ PTGER1 P34995 2/20 0.38
▸ PTGFR P43088 2/20 0.38
▸ PTGER3 P43115 2/20 0.38
▸ PTGER2 P43116 1/20 0.38
▸ PRMT5 O14744 3/20 0.37
▸ WDR77 Q9BQA1 2/20 0.37
▸ FFAR1 O14842 2/20 0.36
▸ PTGDR Q13258 1/20 0.36
▸ KAT6A Q92794 1/20 0.34
▸ ADRB2 P07550 5/20 0.34
▸ ADRB1 P08588 5/20 0.34
▸ ADRB3 P13945 4/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ FABP1 P07148 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 0.89 KDM4E (0.44) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11731623 0.89 TBXA2R (0.39) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11731322 0.89 ADRB2 (0.45) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11734063 0.88 TBXA2R (0.40) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11727274 0.88 TBXA2R (0.38) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11849657 0.88 TBXA2R (0.44) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11733959 0.87 MAPK1 (0.41) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11728763 0.86 TBXA2R (0.37) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11660190 0.83 PRMT5 (0.39) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11728656 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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