SCHEMBL11727616

SCHEMBL11727616

CS(=O)(=O)N(CC#CCCCC(=O)O)CCCC(O)COc1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TBXA2R P21731 1/20 0.35
▸ PTGER1 P34995 1/20 0.35
▸ PTGFR P43088 1/20 0.35
▸ PTGER3 P43115 1/20 0.35
▸ PTGDR Q13258 1/20 0.35
▸ PLA2G4B P0C869 1/20 0.35
▸ MMP2 P08253 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ ABCB1 P08183 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL11727282 0.89 TBXA2R (0.37) TBXA2RPTGER1PTGFRPTGER3PTGDR
SCHEMBL11732616 0.87 GRM2 (0.33) TBXA2RPTGER1PTGFRPTGER3PTGDR
SCHEMBL11729925 0.86 LTA4H (0.43) LTA4HKDM4ESMN1; SMN2TBXA2RPTGER1
SCHEMBL11726216 0.84 TSHR (0.42) KDM4ETBXA2RPTGER1PTGFRPTGER3
SCHEMBL11731325 0.84 ADRB2 (0.40) SMN1; SMN2TBXA2RPTGER1PTGFRPTGER3
SCHEMBL11728656 0.83 TBXA2R (0.37) TBXA2RPTGER1PTGFRPTGER3PTGDR
SCHEMBL11734070 0.83 ALDH1A1 (0.39) KDM4ETBXA2RPTGER1PTGFRPTGER3
SCHEMBL11731627 0.83 TBXA2R (0.37) TBXA2RPTGER1PTGFRPTGER3PTGDR
SCHEMBL11847837 0.83 LTA4H (0.36) LTA4HKDM4ESMN1; SMN2TBXA2RPTGER1
SCHEMBL11847831 0.83 LTA4H (0.36) LTA4HKDM4ESMN1; SMN2TBXA2RPTGER1

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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