SCHEMBL11732616

SCHEMBL11732616

CS(=O)(=O)N(CC#CCCCC(=O)O)CCCC(O)COc1cccc(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 2/20 0.33
▸ TBXA2R P21731 1/20 0.32
▸ PTGER1 P34995 1/20 0.32
▸ PTGFR P43088 1/20 0.32
▸ PTGER3 P43115 1/20 0.32
▸ PTGDR Q13258 1/20 0.32
▸ FFAR4 Q5NUL3 2/20 0.31
▸ PER2 O15055 1/20 0.31
▸ CRY1 Q16526 1/20 0.31
▸ CRY2 Q49AN0 1/20 0.31
▸ CASR P41180 1/20 0.31

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
SCHEMBL11727616 0.87 LTA4H (0.39) TBXA2RPTGER1PTGFRPTGER3PTGDR
SCHEMBL11733734 0.87 TBXA2R (0.38) GRM2TBXA2RPTGER1PTGFRPTGER3
SCHEMBL11727282 0.86 TBXA2R (0.37) TBXA2RPTGER1PTGFRPTGER3PTGDR
SCHEMBL11725302 0.85 CYP1A2 (0.43) TBXA2RPTGER1PTGFRPTGER3PTGDR
SCHEMBL11731325 0.83 ADRB2 (0.40) TBXA2RPTGER1PTGFRPTGER3PTGDR
SCHEMBL11726216 0.83 TSHR (0.42) TBXA2RPTGER1PTGFRPTGER3FFAR4
SCHEMBL11733235 0.82 GRM2 (0.33) GRM2TBXA2RPTGER1PTGFRPTGER3
SCHEMBL11734070 0.82 ALDH1A1 (0.39) TBXA2RPTGER1PTGFRPTGER3PTGDR
SCHEMBL11733249 0.82 GRM2 (0.33) GRM2TBXA2RPTGER1PTGFRPTGER3
SCHEMBL11728656 0.82 TBXA2R (0.37) 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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