SCHEMBL11746247

SCHEMBL11746247

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 2/20 0.51
▸ FFAR1 O14842 2/20 0.51
▸ ACACB O00763 1/20 0.47
▸ ACACA Q13085 1/20 0.47
▸ ALOX5 P09917 1/20 0.40
▸ TBXA2R P21731 1/20 0.38
▸ PTGFR P43088 1/20 0.38
▸ PTGER2 P43116 1/20 0.38
▸ FAAH O00519 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ TBXAS1 P24557 2/20 0.36
▸ PTPN1 P18031 1/20 0.35
▸ GSTK1 Q9Y2Q3 1/20 0.35

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
SCHEMBL11749155 0.87 FFAR4 (0.71) FFAR4FFAR1TBXA2RPTGFRPTGER2
SCHEMBL11620649 0.86 FFAR4 (0.51) FFAR4FFAR1ACACBACACAALOX5
SCHEMBL11752741 0.84 FFAR4 (0.50) FFAR4FFAR1ACACBACACAALOX5
SCHEMBL11742346 0.80 FFAR4 (0.47) FFAR4FFAR1ACACBACACAALOX5
SCHEMBL11787985 0.80 FFAR4 (0.48) FFAR4FFAR1ACACBACACAALOX5
SCHEMBL11516521 0.79 FFAR4 (0.50) FFAR4FFAR1ACACBACACAALOX5
SCHEMBL11514239 0.78 FFAR4 (0.49) FFAR4FFAR1ACACBACACAALOX5
SCHEMBL11603782 0.76 FFAR4 (0.47) FFAR4FFAR1ACACBACACAALOX5
SCHEMBL5247469 0.76 TSHR (0.60) FFAR4FFAR1ALDH1A1PTPN1
SCHEMBL19706336 0.76 TSHR (0.60) FFAR4FFAR1ALDH1A1PTPN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4059602-A HYPOTENSIVE, VASODILATION, ANTITHROMBOSIS MERCK & CO., INC. (US) 1977-11-22 — — US claimed
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