SCHEMBL11660209

SCHEMBL11660209

CC(=O)C(CCCCCCC(=O)O)CCCC(O)COc1cccc(S(C)(=O)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 3/20 0.44
▸ PTGER3 P43115 3/20 0.44
▸ PTGFR P43088 3/20 0.44
▸ TBXA2R P21731 2/20 0.44
▸ PTGER2 P43116 1/20 0.44
▸ PTGDR Q13258 1/20 0.42
▸ PRMT5 O14744 3/20 0.42
▸ WDR77 Q9BQA1 2/20 0.42
▸ FABP1 P07148 2/20 0.38
▸ PTGER4 P35408 1/20 0.36
▸ CYSLTR2 Q9NS75 3/20 0.35
▸ CYSLTR1 Q9Y271 3/20 0.35
▸ KAT6A Q92794 1/20 0.35
▸ ADRB2 P07550 1/20 0.35
▸ ADRB1 P08588 1/20 0.35
▸ ADRB3 P13945 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.34
▸ FFAR1 O14842 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
SCHEMBL11662613 0.89 PRMT5 (0.40) PTGER1PTGER3PTGFRTBXA2RPTGER2
SCHEMBL11657992 0.87 PTGFR (0.41) PTGER1PTGER3PTGFRTBXA2RPTGER2
SCHEMBL11660190 0.87 PRMT5 (0.39) PTGER1PTGER3PTGFRTBXA2RPTGER2
SCHEMBL11657383 0.85 TBXA2R (0.47) PTGER1PTGER3PTGFRTBXA2RPTGER2
SCHEMBL11657093 0.85 TSHR (0.50) PTGER1PTGER3PTGFRTBXA2RPTGER2
SCHEMBL11658378 0.85 TBXA2R (0.56) PTGER1PTGER3PTGFRTBXA2RPTGER2
SCHEMBL11655915 0.85 PTGFR (0.61) PTGER1PTGER3PTGFRTBXA2RPTGER2
SCHEMBL11662117 0.85 ABCB1 (0.49) PTGER1PTGER3PTGFRTBXA2RPTGER2
SCHEMBL11654416 0.85 PTGFR (0.48) PTGER1PTGER3PTGFRTBXA2RPTGER2
SCHEMBL11654409 0.85 PTGER1 (0.46) PTGER1PTGER3PTGFRTBXA2RPTGER2

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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