SCHEMBL1702218

SCHEMBL1702218

CC(O)C(C)(O)CCCCO

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.34
CYP4A11 Q02928 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 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
SCHEMBL8723922 0.83 CYP4F2 (0.35) CYP4F2CYP4A11SMN1; SMN2LMNAALDH1A1
SCHEMBL7033929 0.82
SCHEMBL9122775 0.81 CYP4F2 (0.38) CYP4F2CYP4A11SMN1; SMN2LMNAALDH1A1
SCHEMBL29743352 0.81 FDPS (0.40)
SCHEMBL7243211 0.80 SMN1; SMN2 (0.35) CYP4F2CYP4A11SMN1; SMN2LMNAALDH1A1
SCHEMBL22551256 0.79 FDPS (0.42)
SCHEMBL29743378 0.79 FDPS (0.42)
SCHEMBL8529254 0.78 FDPS (0.32) ALDH1A1TSHR
SCHEMBL11697387 0.77 ACACB (0.38) CYP4F2CYP4A11LMNAALDH1A1HSD17B10
SCHEMBL16013122 0.77 ACACB (0.38)

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-2593552-A1 RECOMBINANT HOST CELLS COMPRISING PHOSPHOKETOLASES Butamax(tm) Advanced Biofuels LLC (US) 2013-05-22 EP claimed
WO-2011159853-A1 RECOMBINANT HOST CELLS COMPRISING PHOSPHOKETOLASES BUTAMAX(TM) ADVANCED BIOFUELS LLC (US) 2011-12-22 WO claimed