SCHEMBL11733235

SCHEMBL11733235

CS(=O)(=O)N(C/C=C\CCCC(=O)O)CCCC(O)COc1cccc(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 2/20 0.33
▸ TBXA2R P21731 3/20 0.32
▸ CASR P41180 1/20 0.32
▸ PTGER1 P34995 1/20 0.32
▸ PTGFR P43088 1/20 0.32
▸ PTGER3 P43115 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
SCHEMBL11733249 1.00 GRM2 (0.33) GRM2TBXA2RCASRPTGER1PTGFR
SCHEMBL11728906 0.87 LTA4H (0.39) TBXA2RPTGER1PTGFRPTGER3
SCHEMBL11728916 0.87 LTA4H (0.39) TBXA2RPTGER1PTGFRPTGER3
SCHEMBL11733734 0.87 TBXA2R (0.38) GRM2TBXA2RPTGER1PTGFRPTGER3
SCHEMBL11729672 0.86 PTGFR (0.38) TBXA2RPTGER1PTGFRPTGER3
SCHEMBL11729663 0.86 PTGFR (0.38) TBXA2RPTGER1PTGFRPTGER3
SCHEMBL11732519 0.85 CYP1A2 (0.43) TBXA2R
SCHEMBL11732510 0.85 CYP1A2 (0.43) TBXA2R
SCHEMBL11734124 0.83 TSHR (0.42) TBXA2RPTGER1PTGFRPTGER3
SCHEMBL11736076 0.83 ADRB2 (0.40) TBXA2RPTGER1PTGFRPTGER3

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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