SCHEMBL11656722

SCHEMBL11656722

CC(=O)C(CCCCCCC(=O)O)CCCC(O)COCCC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 2/20 0.41
▸ FFAR1 O14842 2/20 0.41
▸ ACACB O00763 1/20 0.35
▸ ACACA Q13085 1/20 0.35
▸ TBXAS1 P24557 1/20 0.34
▸ PLA2G2C Q5R387 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ TBXA2R P21731 1/20 0.32
▸ PTGFR P43088 1/20 0.32
▸ PTGER2 P43116 1/20 0.32
▸ ALOX5 P09917 1/20 0.31
▸ FAAH O00519 1/20 0.31

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
SCHEMBL11662319 0.86 FFAR4 (0.54) FFAR4FFAR1TBXAS1PLA2G2CALDH1A1
SCHEMBL11620649 0.84 FFAR4 (0.51) FFAR4FFAR1ACACBACACAALDH1A1
SCHEMBL11657073 0.84 FFAR4 (0.55) FFAR4FFAR1TBXAS1PLA2G2CALDH1A1
SCHEMBL11657156 0.82 FFAR4 (0.51) FFAR4FFAR1TBXAS1ALDH1A1TBXA2R
SCHEMBL11659103 0.81 FFAR4 (0.46) FFAR4FFAR1TBXAS1ALDH1A1
SCHEMBL11728529 0.78 FFAR4 (0.36) FFAR4FFAR1
SCHEMBL11615802 0.77 FFAR4 (0.56) FFAR4FFAR1ACACBACACAALDH1A1
SCHEMBL11728524 0.76 FFAR4 (0.35) FFAR4FFAR1ALDH1A1TBXA2R
SCHEMBL11657458 0.75 CA1 (0.45) FFAR4FFAR1TBXAS1
SCHEMBL11615130 0.73 FFAR4 (0.57) FFAR4FFAR1ACACBACACAALDH1A1

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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