SCHEMBL9566546

SCHEMBL9566546

CC(C)CC(=O)CC(=O)CCCCCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HAO1 Q9UJM8 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP2C19 P33261 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
FAAH O00519 1/20 0.33
MAPK1 P28482 1/20 0.33
MAPT P10636 1/20 0.32
CA2 P00918 1/20 0.32
KDM4C Q9H3R0 2/20 0.32
KDM4A O75164 1/20 0.32

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
SCHEMBL2527255 0.90 GPR84 (0.46) GPR84FFAR1FFAR4KDM4ESMN1; SMN2
SCHEMBL2533535 0.90 GPR84 (0.46) GPR84FFAR1FFAR4KDM4ESMN1; SMN2
SCHEMBL2532461 0.87 GPR84 (0.42) GPR84FFAR1FFAR4KDM4ESMN1; SMN2
SCHEMBL11598362 0.84 HAO1 (0.55) GPR84FFAR1FFAR4HAO1ALDH1A1
SCHEMBL13160784 0.82 GPR84 (0.57) GPR84FFAR1FFAR4KDM4ESMN1; SMN2
SCHEMBL1946353 0.82 HAO1 (0.52) GPR84FFAR1FFAR4HAO1ALDH1A1
SCHEMBL2527134 0.81 ALDH1A1 (0.42) GPR84FFAR1FFAR4KDM4ESMN1; SMN2
SCHEMBL410371 0.79 HAO1 (0.44) FFAR1SMN1; SMN2HAO1ALDH1A1TDP1
SCHEMBL25303773 0.78 GPR84 (0.52) GPR84FFAR1FFAR4KDM4ESMN1; SMN2
SCHEMBL1924519 0.78 ALDH1A1 (0.53) FFAR1SMN1; SMN2ALDH1A1TDP1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0536105-A1 Ruthenium(II)-binap diketonate complexes MONSANTO COMPANY (US) 1993-04-07 EP disclosed
US-5144050-A Hydrogenation Catalysts MONSANTO COMPANY (US) 1992-09-01 US disclosed