SCHEMBL11657992

SCHEMBL11657992

CC(=O)C(C/C=C\CCCC(=O)O)CCCC(O)COc1cccc(S(C)(=O)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGFR P43088 12/20 0.41
▸ PTGER3 P43115 6/20 0.41
▸ TBXA2R P21731 5/20 0.41
▸ PTGER1 P34995 4/20 0.41
▸ PTGER2 P43116 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ PRMT5 O14744 1/20 0.39
▸ WDR77 Q9BQA1 1/20 0.39
▸ CYSLTR2 Q9NS75 1/20 0.36
▸ CYSLTR1 Q9Y271 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ PTGDR Q13258 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
SCHEMBL11659579 0.88 PTGFR (0.39) PTGFRPTGER3TBXA2RPTGER1PTGER2
SCHEMBL11655953 0.87 TSHR (0.45) PTGFRPTGER3TBXA2RPTGER1PTGER2
SCHEMBL11660406 0.87 PTGFR (0.52) PTGFRPTGER3TBXA2RPTGER1PTGER2
SCHEMBL11661872 0.87 PTGFR (0.41) PTGFRPTGER3TBXA2RPTGER1PTGER2
SCHEMBL11663400 0.87 PTGFR (0.41) PTGFRPTGER3TBXA2RPTGER1PTGER2
SCHEMBL11660209 0.87 PTGER1 (0.44) PTGFRPTGER3TBXA2RPTGER1PTGER2
SCHEMBL11654984 0.86 PTGFR (0.42) PTGFRPTGER3TBXA2RPTGER1PTGER2
SCHEMBL11659001 0.86 PTGFR (0.41) PTGFRPTGER3TBXA2RPTGER1PTGER2
SCHEMBL11660315 0.86 PTGFR (0.41) PTGFRPTGER3TBXA2RPTGER1PTGER2
SCHEMBL11657736 0.85 PTGIR (0.44) 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-4126629-A FERTILITY CONTROL MERCK & CO., INC. (US) 1978-11-21 — — US disclosed
US-4061643-A ANTIFERTILITY MERCK & CO., INC. (US) 1977-12-06 — — US disclosed
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