SCHEMBL11725189

SCHEMBL11725189

CN(C)c1cccc(OCC(O)CCCN(CCCCCCC(=O)O)S(C)(=O)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 2/20 0.44
▸ PTGER1 P34995 2/20 0.44
▸ PTGFR P43088 2/20 0.44
▸ PTGER3 P43115 2/20 0.44
▸ PTGER2 P43116 1/20 0.44
▸ PTGDR Q13258 1/20 0.42
▸ HIF1A Q16665 1/20 0.38
▸ ADAMTS4 O75173 1/20 0.37
▸ CA12 O43570 2/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA4 P22748 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ MTNR1A P48039 4/20 0.37
▸ MTNR1B P49286 4/20 0.37

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
SCHEMBL11727304 0.89 ALDH1A1 (0.37) HIF1A
SCHEMBL11735558 0.88 TSHR (0.47) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11728925 0.88 TBXA2R (0.45) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11730106 0.88 TBXA2R (0.53) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11728859 0.87 PTGFR (0.39) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11728876 0.87 PTGFR (0.39) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11728772 0.87 TBXA2R (0.37) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11728039 0.87 TBXA2R (0.46) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11729589 0.87 TBXA2R (0.44) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11726287 0.87 TBXA2R (0.44) TBXA2RPTGER1PTGFRPTGER3PTGER2

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
Send feedback