SCHEMBL8723922

SCHEMBL8723922

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 3/20 0.32
LMNA P02545 2/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
CYP2C19 P33261 1/20 0.30

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
SCHEMBL9122775 0.98 CYP4F2 (0.38) CYP4F2CYP4A11SMN1; SMN2ALDH1A1LMNA
SCHEMBL7243211 0.97 SMN1; SMN2 (0.35) CYP4F2CYP4A11SMN1; SMN2ALDH1A1LMNA
SCHEMBL1702218 0.83 CYP4F2 (0.34) CYP4F2CYP4A11SMN1; SMN2ALDH1A1LMNA
SCHEMBL8516870 0.81
SCHEMBL8719041 0.80 ACACB (0.30)
SCHEMBL5461569 0.80 FDPS (0.41)
SCHEMBL5463680 0.79 CYP4F2 (0.38) CYP4F2CYP4A11SMN1; SMN2ALDH1A1LMNA
SCHEMBL25349953 0.78 FDPS (0.43) TSHR
SCHEMBL26104581 0.78 FDPS (0.43) TSHR
SCHEMBL26104232 0.78 FDPS (0.43) TSHR

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-0842250-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1998-05-20 EP claimed
WO-1997003169-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO claimed