SCHEMBL11729925

SCHEMBL11729925

CS(=O)(=O)N(CCCCCCC(=O)O)CCCC(O)COc1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.43
▸ TBXA2R P21731 1/20 0.43
▸ PTGER1 P34995 1/20 0.43
▸ PTGFR P43088 1/20 0.43
▸ PTGER3 P43115 1/20 0.43
▸ PTGDR Q13258 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PLA2G4B P0C869 2/20 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
SCHEMBL11725299 0.90 PTGFR (0.43) TBXA2RPTGER1PTGFRPTGER3PTGDR
SCHEMBL11730106 0.90 TBXA2R (0.53) LTA4HTBXA2RPTGER1PTGFRPTGER3
SCHEMBL11725963 0.89 ADRB2 (0.40) LTA4HKDM4ESMN1; SMN2
SCHEMBL11726052 0.88 FAAH (0.40) LTA4HSMN1; SMN2
SCHEMBL11728055 0.86 KDM4E (0.45) LTA4HTBXA2RPTGDRKDM4ESMN1; SMN2
SCHEMBL11727616 0.86 LTA4H (0.39) LTA4HTBXA2RPTGER1PTGFRPTGER3
SCHEMBL11728906 0.86 LTA4H (0.39) LTA4HTBXA2RPTGER1PTGFRPTGER3
SCHEMBL11728916 0.86 LTA4H (0.39) LTA4HTBXA2RPTGER1PTGFRPTGER3
SCHEMBL11730076 0.85 LTA4H (0.40) LTA4HTBXA2RKDM4ESMN1; SMN2
SCHEMBL11733734 0.85 TBXA2R (0.38) 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 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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