SCHEMBL11729091

SCHEMBL11729091

CS(=O)(=O)N(CCCCCCC(=O)O)CCCC(O)COc1cncnc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 4/20 0.39
▸ PTGER1 P34995 2/20 0.39
▸ PTGFR P43088 2/20 0.39
▸ PTGER3 P43115 2/20 0.39
▸ PTGDR Q13258 1/20 0.39
▸ PTGER2 P43116 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ ADRB2 P07550 2/20 0.34
▸ ADRB1 P08588 2/20 0.34
▸ ADRB3 P13945 2/20 0.34
▸ PLA2G4B P0C869 1/20 0.34
▸ TBXAS1 P24557 3/20 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
SCHEMBL11731367 0.88 ALDH1A1 (0.36) TBXAS1
SCHEMBL11729971 0.88 TBXAS1 (0.42) TBXA2RPTGER1PTGFRPTGER3PTGDR
SCHEMBL11730106 0.85 TBXA2R (0.53) TBXA2RPTGER1PTGFRPTGER3PTGDR
SCHEMBL11725299 0.83 PTGFR (0.43) TBXA2RPTGER1PTGFRPTGER3PTGDR
SCHEMBL11729925 0.83 LTA4H (0.43) TBXA2RPTGER1PTGFRPTGER3PTGDR
SCHEMBL11728925 0.80 TBXA2R (0.45) TBXA2RPTGER1PTGFRPTGER3PTGDR
SCHEMBL11735558 0.80 TSHR (0.47) TBXA2RPTGER1PTGFRPTGER3PTGDR
SCHEMBL11726287 0.79 TBXA2R (0.44) TBXA2RPTGER1PTGFRPTGER3PTGDR
SCHEMBL11728039 0.79 TBXA2R (0.46) TBXA2RPTGER1PTGFRPTGER3PTGDR
SCHEMBL11729589 0.79 TBXA2R (0.44) 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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