SCHEMBL11659103

SCHEMBL11659103

CC(=O)C(CCCCCCC(=O)O)CCCC(O)COCC(C)C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 2/20 0.46
▸ FFAR1 O14842 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KDM4C Q9H3R0 2/20 0.38
▸ KDM4A O75164 1/20 0.38
▸ PHF8 Q9UPP1 1/20 0.38
▸ KDM2A Q9Y2K7 1/20 0.38
▸ TBXAS1 P24557 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL11657156 0.87 FFAR4 (0.51) FFAR4FFAR1TBXAS1ALDH1A1
SCHEMBL11662319 0.86 FFAR4 (0.54) FFAR4FFAR1TBXAS1ALDH1A1
SCHEMBL11615130 0.84 FFAR4 (0.57) FFAR4FFAR1KDM4CKDM4APHF8
SCHEMBL11657073 0.84 FFAR4 (0.55) FFAR4FFAR1TBXAS1ALDH1A1KDM4E
SCHEMBL11656722 0.81 FFAR4 (0.41) FFAR4FFAR1TBXAS1ALDH1A1
SCHEMBL11657458 0.80 CA1 (0.45) FFAR4FFAR1TBXAS1
SCHEMBL11618654 0.78 FFAR4 (0.77) FFAR4FFAR1ALDH1A1
SCHEMBL7550732 0.78 FFAR4 (0.77) FFAR4FFAR1ALDH1A1
SCHEMBL11615905 0.78 FFAR4 (0.77) FFAR4FFAR1ALDH1A1
SCHEMBL11615881 0.78 FFAR4 (0.77) FFAR4FFAR1ALDH1A1

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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