SCHEMBL11727609

SCHEMBL11727609

O=C(O)CCCC#CCNS(=O)(=O)CCCCC(O)COc1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.38
▸ LMNA P02545 1/20 0.37
▸ TBXA2R P21731 2/20 0.36
▸ PTGER1 P34995 1/20 0.36
▸ PTGFR P43088 1/20 0.36
▸ PTGER3 P43115 1/20 0.36
▸ PTGDR Q13258 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ PLA2G4B P0C869 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MAPT P10636 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ ADRB2 P07550 3/20 0.34
▸ ADRB1 P08588 3/20 0.34
▸ ADRB3 P13945 3/20 0.34
▸ TSHR P16473 1/20 0.34

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
SCHEMBL11727274 0.89 TBXA2R (0.38) TBXA2RPTGER1PTGFRPTGER3PTGDR
SCHEMBL11732610 0.87 GRM2 (0.34) TBXA2RPTGER1PTGFRPTGER3PTGDR
SCHEMBL11729918 0.86 LMNA (0.44) LTA4HLMNATBXA2RPTGER1PTGFR
SCHEMBL11726209 0.83 KDM4E (0.44) LMNATBXA2RPTGER1PTGFRPTGER3
SCHEMBL11731322 0.83 ADRB2 (0.45) TBXA2RPTGER1PTGFRPTGER3PTGDR
SCHEMBL11731623 0.83 TBXA2R (0.39) TBXA2RPTGER1PTGFRPTGER3PTGDR
SCHEMBL11734063 0.83 TBXA2R (0.40) LMNATBXA2RPTGER1PTGFRPTGER3
SCHEMBL11725298 0.82 CYP1A2 (0.45) TBXA2RPTGER1PTGFRPTGER3PTGDR
SCHEMBL11733959 0.82 MAPK1 (0.41) TBXA2RPTGER1PTGFRPTGER3PTGDR
SCHEMBL11728653 0.82 TBXA2R (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 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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