SCHEMBL8539187

SCHEMBL8539187

CC/C=C(\CC)CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.43
LDHA P00338 1/20 0.38
SRR Q9GZT4 1/20 0.38
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GRIK1 P39086 1/20 0.32
GRIK2 Q13002 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
ALDH1A1 P00352 3/20 0.32
TDP1 Q9NUW8 3/20 0.32
MAPK1 P28482 1/20 0.32
FFAR1 O14842 1/20 0.31
MAPT P10636 1/20 0.31
CYP19A1 P11511 1/20 0.31
RXRA P19793 1/20 0.31
PPARG P37231 1/20 0.31
OXER1 Q8TDS5 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
SCHEMBL6026397 1.00 FFAR3 (0.43) FFAR3LDHASRRALOX15HSD17B10
SCHEMBL27563695 0.90 LDHA (0.42) FFAR3LDHASRRALOX15HSD17B10
SCHEMBL29124288 0.83 FFAR3 (0.41) FFAR3LDHASRRALOX15HDAC3
SCHEMBL28738399 0.83 LDHA (0.36) FFAR3LDHASRRALOX15HSD17B10
SCHEMBL19554411 0.81 EGLN1 (0.41) FFAR3LDHASRRALOX15HSD17B10
SCHEMBL11806991 0.81 HDAC3 (0.46) FFAR3LDHASRRALOX15HSD17B10
SCHEMBL11806999 0.81 HDAC3 (0.46) FFAR3LDHASRRALOX15HSD17B10
SCHEMBL10779589 0.79
SCHEMBL868459 0.79
SCHEMBL868460 0.79

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-0876458-A1 HARD-SURFACE CLEANING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-11-11 EP disclosed
WO-1997024425-A1 HARD-SURFACE CLEANING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-07-10 WO disclosed