SCHEMBL11655915

SCHEMBL11655915

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

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGFR P43088 8/20 0.61
▸ TBXA2R P21731 3/20 0.61
▸ PTGER1 P34995 3/20 0.61
▸ PTGER3 P43115 3/20 0.61
▸ PTGER2 P43116 2/20 0.61
▸ PTGDR Q13258 1/20 0.44
▸ THRB P10828 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ CASR P41180 1/20 0.41
▸ MMP1 P03956 1/20 0.41
▸ MMP3 P08254 1/20 0.41
▸ PPARG P37231 1/20 0.40
▸ PPARD Q03181 1/20 0.40

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 0.88 TSHR (0.50) PTGFRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL11657383 0.88 TBXA2R (0.47) PTGFRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL11657750 0.88 TBXA2R (0.48) PTGFRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL11658378 0.88 TBXA2R (0.56) PTGFRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL11654416 0.87 PTGFR (0.48) PTGFRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL11661817 0.87 PTGER1 (0.46) PTGFRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL11654409 0.87 PTGER1 (0.46) PTGFRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL11662117 0.87 ABCB1 (0.49) PTGFRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL11660406 0.87 PTGFR (0.52) PTGFRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL11658722 0.86 MAPK1 (0.46) PTGFRTBXA2RPTGER1PTGER3PTGER2

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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