SCHEMBL11660150

SCHEMBL11660150

CC(=O)C(CC#CCCCC(=O)O)CCCC(O)COc1cccc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 2/20 0.39
▸ PTGER1 P34995 2/20 0.39
▸ PTGFR P43088 2/20 0.39
▸ PTGER3 P43115 2/20 0.39
▸ PTGER2 P43116 1/20 0.39
▸ USP2 O75604 1/20 0.38
▸ FFAR1 O14842 2/20 0.37
▸ FFAR4 Q5NUL3 2/20 0.37
▸ PTGDR Q13258 1/20 0.37
▸ ABCB1 P08183 4/20 0.36
▸ TRPM8 Q7Z2W7 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ MRGPRX4 Q96LA9 1/20 0.34

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
SCHEMBL11660005 0.90 TBXA2R (0.39) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11658825 0.90 TSHR (0.45) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11661648 0.90 ADRB2 (0.41) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11657211 0.89 TBXA2R (0.39) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11661929 0.89 PTGFR (0.51) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11656948 0.89 TBXA2R (0.41) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11661132 0.88 MAPT (0.39) TBXA2RPTGER1PTGFRPTGER3PTGDR
SCHEMBL11656818 0.88 PTGFR (0.41) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11657915 0.88 MAPK1 (0.39) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11660214 0.87 TBXA2R (0.38) 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 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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