SCHEMBL11733734

SCHEMBL11733734

CS(=O)(=O)N(CCCCCCC(=O)O)CCCC(O)COc1cccc(F)c1F

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 2/20 0.38
▸ PTGER1 P34995 2/20 0.38
▸ PTGFR P43088 2/20 0.38
▸ PTGER3 P43115 2/20 0.38
▸ PTGDR Q13258 1/20 0.38
▸ PTGER2 P43116 1/20 0.36
▸ GRM2 Q14416 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ FFAR4 Q5NUL3 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
SCHEMBL11731250 0.92 KDM4E (0.44) TBXA2RPTGER1PTGFRPTGER3PTGDR
SCHEMBL11732380 0.89 GRM2 (0.38) GRM2
SCHEMBL11733235 0.87 GRM2 (0.33) TBXA2RPTGER1PTGFRPTGER3GRM2
SCHEMBL11733249 0.87 GRM2 (0.33) TBXA2RPTGER1PTGFRPTGER3GRM2
SCHEMBL11732616 0.87 GRM2 (0.33) TBXA2RPTGER1PTGFRPTGER3PTGDR
SCHEMBL11729925 0.85 LTA4H (0.43) TBXA2RPTGER1PTGFRPTGER3PTGDR
SCHEMBL11730106 0.84 TBXA2R (0.53) TBXA2RPTGER1PTGFRPTGER3PTGDR
SCHEMBL11733336 0.84 CYP1A2 (0.48) TBXA2RPTGER1PTGFRPTGER3PTGDR
SCHEMBL11728925 0.81 TBXA2R (0.45) TBXA2RPTGER1PTGFRPTGER3PTGDR
SCHEMBL11735558 0.81 TSHR (0.47) 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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