SCHEMBL11658722

SCHEMBL11658722

CCc1cccc(OCC(O)CCCC(CCCCCCC(=O)O)C(C)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ PTGFR P43088 4/20 0.46
▸ PTGER1 P34995 3/20 0.46
▸ PTGER3 P43115 3/20 0.46
▸ TBXA2R P21731 2/20 0.46
▸ PTGER2 P43116 1/20 0.46
▸ PTGDR Q13258 1/20 0.44
▸ TSHR P16473 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ PTGIR P43119 1/20 0.41
▸ PPARA Q07869 2/20 0.41
▸ PPARG P37231 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ PTGER4 P35408 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ FFAR1 O14842 1/20 0.39

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
SCHEMBL11656355 0.89 MAPK1 (0.51) MAPK1L3MBTL1TSHRTDP1PPARA
SCHEMBL11657093 0.87 TSHR (0.50) MAPK1L3MBTL1PTGFRPTGER1PTGER3
SCHEMBL11657383 0.87 TBXA2R (0.47) L3MBTL1PTGFRPTGER1PTGER3TBXA2R
SCHEMBL11658378 0.87 TBXA2R (0.56) PTGFRPTGER1PTGER3TBXA2RPTGER2
SCHEMBL11657736 0.86 PTGIR (0.44) MAPK1L3MBTL1PTGFRPTGER1PTGER3
SCHEMBL11657915 0.86 MAPK1 (0.39) MAPK1L3MBTL1PTGFRPTGER1PTGER3
SCHEMBL11654409 0.86 PTGER1 (0.46) PTGFRPTGER1PTGER3TBXA2RPTGER2
SCHEMBL11655915 0.86 PTGFR (0.61) PTGFRPTGER1PTGER3TBXA2RPTGER2
SCHEMBL11661817 0.86 PTGER1 (0.46) MAPK1PTGFRPTGER1PTGER3TBXA2R
SCHEMBL11654416 0.86 PTGFR (0.48) PTGFRPTGER1PTGER3TBXA2RPTGER2

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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