SCHEMBL11660564

SCHEMBL11660564

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGFR P43088 12/20 0.41
▸ PTGER3 P43115 6/20 0.41
▸ TBXA2R P21731 4/20 0.41
▸ PTGER1 P34995 4/20 0.41
▸ PTGER2 P43116 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ PTGDR Q13258 1/20 0.36
▸ PTGIR P43119 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ FFAR4 Q5NUL3 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
SCHEMBL11663400 0.88 PTGFR (0.41) PTGFRPTGER3TBXA2RPTGER1PTGER2
SCHEMBL11655953 0.88 TSHR (0.45) PTGFRPTGER3TBXA2RPTGER1PTGER2
SCHEMBL11660406 0.88 PTGFR (0.52) PTGFRPTGER3TBXA2RPTGER1PTGER2
SCHEMBL11661872 0.88 PTGFR (0.41) PTGFRPTGER3TBXA2RPTGER1PTGER2
SCHEMBL11662622 0.87 PTGFR (0.40) PTGFRPTGER3TBXA2RPTGER1PTGER2
SCHEMBL11659001 0.87 PTGFR (0.41) PTGFRPTGER3TBXA2RPTGER1PTGER2
SCHEMBL11654984 0.87 PTGFR (0.42) PTGFRPTGER3TBXA2RPTGER1PTGER2
SCHEMBL11660315 0.87 PTGFR (0.41) PTGFRPTGER3TBXA2RPTGER1PTGER2
SCHEMBL11660369 0.87 PTGER1 (0.45) PTGFRPTGER3TBXA2RPTGER1PTGER2
SCHEMBL11657736 0.86 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 3 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
US-4020177-A CONTRACEPTIVES MERCK & CO., INC. (US) 1977-04-26 — — US disclosed
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