SCHEMBL11725299

SCHEMBL11725299

COc1ccc(OCC(O)CCCN(CCCCCCC(=O)O)S(C)(=O)=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGFR P43088 2/20 0.43
▸ TBXA2R P21731 1/20 0.43
▸ PTGER1 P34995 1/20 0.43
▸ PTGER3 P43115 1/20 0.43
▸ PTGDR Q13258 1/20 0.43
▸ FFAR1 O14842 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ PPARD Q03181 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA4 P22748 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ PLA2G4B P0C869 1/20 0.41
▸ PDE4B Q07343 1/20 0.40
▸ MEP1B Q16820 1/20 0.40

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
SCHEMBL11730106 0.91 TBXA2R (0.53) PTGFRTBXA2RPTGER1PTGER3PTGDR
SCHEMBL11729925 0.90 LTA4H (0.43) PTGFRTBXA2RPTGER1PTGER3PTGDR
SCHEMBL11735558 0.89 TSHR (0.47) PTGFRTBXA2RPTGER1PTGER3PTGDR
SCHEMBL11852601 0.87 ALOX15 (0.40) CA1CA2CA4CA7CA9
SCHEMBL11729091 0.83 TBXA2R (0.39) PTGFRTBXA2RPTGER1PTGER3PTGDR
SCHEMBL11516147 0.83 ALDH1A1 (0.44) PTGFRTBXA2RPTGER1PTGER3PTGDR
SCHEMBL11728925 0.83 TBXA2R (0.45) PTGFRTBXA2RPTGER1PTGER3PTGDR
SCHEMBL11728039 0.82 TBXA2R (0.46) PTGFRTBXA2RPTGER1PTGER3PTGDR
SCHEMBL11729971 0.82 TBXAS1 (0.42) PTGFRTBXA2RPTGER1PTGER3PTGDR
SCHEMBL11726287 0.82 TBXA2R (0.44) PTGFRTBXA2RPTGER1PTGER3PTGDR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3991106-A FOR ESTRUS SYNCHRONIZATION AND TREATMENT OF INFERTILITY MERCK & CO., INC. (US) 1976-11-09 — — US claimed
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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