SCHEMBL11728763

SCHEMBL11728763

CN(C)c1cccc(OCC(O)CCCCS(=O)(=O)NCC#CCCCC(=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
▸ ADAMTS4 O75173 1/20 0.37
▸ PRMT5 O14744 1/20 0.35
▸ PTGDR Q13258 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ BCHE P06276 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ FFAR1 O14842 2/20 0.34
▸ FAAH O00519 1/20 0.34
▸ ADRB2 P07550 3/20 0.33
▸ ADRB1 P08588 3/20 0.33
▸ ADRB3 P13945 2/20 0.33
▸ APP P05067 1/20 0.33
▸ MTNR1A P48039 3/20 0.32
▸ MTNR1B P49286 3/20 0.32
▸ MEN1 O00255 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
SCHEMBL11725181 0.88 TBXA2R (0.43) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11726209 0.88 KDM4E (0.44) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11731623 0.88 TBXA2R (0.39) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11731322 0.88 ADRB2 (0.45) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11727274 0.87 TBXA2R (0.38) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11734063 0.87 TBXA2R (0.40) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11733959 0.86 MAPK1 (0.41) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11728653 0.86 TBXA2R (0.38) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11728772 0.83 TBXA2R (0.37) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11727609 0.81 LTA4H (0.38) 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 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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