SCHEMBL11657383

SCHEMBL11657383

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

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 2/20 0.47
▸ PTGER1 P34995 2/20 0.47
▸ PTGFR P43088 2/20 0.47
▸ PTGER3 P43115 2/20 0.47
▸ PTGER2 P43116 1/20 0.47
▸ ADRB2 P07550 1/20 0.46
▸ ADRB1 P08588 1/20 0.46
▸ PTGDR Q13258 1/20 0.45
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MMP1 P03956 1/20 0.40
▸ MMP3 P08254 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SLC2A1 P11166 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
SCHEMBL11657093 0.89 TSHR (0.50) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11658378 0.89 TBXA2R (0.56) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11654437 0.89 SMN1; SMN2 (0.46) ADRB2ADRB1KMT2AMEN1SMN1; SMN2
SCHEMBL11655915 0.88 PTGFR (0.61) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11654409 0.88 PTGER1 (0.46) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11654416 0.88 PTGFR (0.48) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11662117 0.88 ABCB1 (0.49) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11661817 0.88 PTGER1 (0.46) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11658722 0.87 MAPK1 (0.46) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11660369 0.86 PTGER1 (0.45) 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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