SCHEMBL11728579

SCHEMBL11728579

CS(=O)(=O)N(CC=CCCCC(=O)O)CCCC(O)COc1cccc(I)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGFR P43088 10/20 0.37
▸ PTGER3 P43115 6/20 0.37
▸ TBXA2R P21731 5/20 0.37
▸ PTGER1 P34995 4/20 0.37
▸ PTGER2 P43116 2/20 0.37
▸ THRB P10828 1/20 0.37
▸ PTGDR Q13258 1/20 0.35
▸ PTGIR P43119 1/20 0.35

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
SCHEMBL11728564 1.00 PTGFR (0.37) PTGFRPTGER3TBXA2RPTGER1PTGER2
SCHEMBL11734107 0.90 TSHR (0.42) PTGFRPTGER3TBXA2RPTGER1PTGER2
SCHEMBL11734124 0.90 TSHR (0.42) PTGFRPTGER3TBXA2RPTGER1PTGER2
SCHEMBL11736071 0.90 ADRB2 (0.40) PTGFRPTGER3TBXA2RPTGER1PTGER2
SCHEMBL11736076 0.90 ADRB2 (0.40) PTGFRPTGER3TBXA2RPTGER1PTGER2
SCHEMBL11733985 0.89 PTGFR (0.39) PTGFRPTGER3TBXA2RPTGER1PTGER2
SCHEMBL11727626 0.89 ALDH1A1 (0.39) PTGFRPTGER3TBXA2RPTGER1PTGER2
SCHEMBL11727615 0.89 ALDH1A1 (0.39) PTGFRPTGER3TBXA2RPTGER1PTGER2
SCHEMBL11729663 0.89 PTGFR (0.38) PTGFRPTGER3TBXA2RPTGER1PTGER2
SCHEMBL11733997 0.89 PTGFR (0.39) PTGFRPTGER3TBXA2RPTGER1PTGER2

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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