SCHEMBL11792952

SCHEMBL11792952

NC(=O)N(CCCCCCC(=O)O)CCCC(O)CCCCC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 2/20 0.44
▸ FFAR1 O14842 2/20 0.44
▸ ACACB O00763 1/20 0.38
▸ ACACA Q13085 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ TBXA2R P21731 1/20 0.36
▸ PTGFR P43088 1/20 0.36
▸ PTGER2 P43116 1/20 0.36
▸ KDM4C Q9H3R0 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KDM4A O75164 1/20 0.34
▸ PHF8 Q9UPP1 1/20 0.34
▸ KDM2A Q9Y2K7 1/20 0.34
▸ PTPN1 P18031 1/20 0.33
▸ FAAH O00519 1/20 0.33
▸ GSTK1 Q9Y2Q3 1/20 0.33
▸ ENPEP Q07075 1/20 0.33

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
SCHEMBL11787985 0.87 FFAR4 (0.48) FFAR4FFAR1ACACBACACAALOX5
SCHEMBL11795156 0.84 FFAR4 (0.46) FFAR4FFAR1ACACBACACATBXA2R
SCHEMBL11791276 0.82 FFAR4 (0.69) FFAR4FFAR1TBXA2RPTGFRPTGER2
SCHEMBL11791279 0.82 FFAR4 (0.69) FFAR4FFAR1TBXA2RPTGFRPTGER2
SCHEMBL11791284 0.82 FFAR4 (0.69) FFAR4FFAR1TBXA2RPTGFRPTGER2
SCHEMBL11603782 0.81 FFAR4 (0.47) FFAR4FFAR1ACACBACACAALOX5
SCHEMBL11793752 0.81 FFAR4 (0.43) FFAR4FFAR1ACACBACACAALOX5
SCHEMBL11742346 0.80 FFAR4 (0.47) FFAR4FFAR1ACACBACACAALOX5
SCHEMBL11792939 0.77 MAPT (0.50) FFAR4FFAR1TBXA2RPTGFRPTGER2
SCHEMBL11795088 0.75 FFAR4 (0.65) FFAR4FFAR1TBXA2RPTGFRPTGER2

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-3989749-A RENAL VASODILATORS, ANTITHROMBUS MERCK & CO., INC. (US) 1976-11-02 — — US disclosed
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