SCHEMBL8229593

SCHEMBL8229593

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.42
SRR Q9GZT4 1/20 0.42
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 2/20 0.36
CYP2D6 P10635 2/20 0.36
MAPT P10636 2/20 0.36
ABCC4 O15439 1/20 0.36
TSHR P16473 4/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
BLM P54132 1/20 0.30
SLC6A3 Q01959 1/20 0.30
MEN1 O00255 1/20 0.30
NFKB1 P19838 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
SCHEMBL6495392 0.84 ALOX15 (0.34) LDHASRRALOX15HSD17B10ALDH1A1
SCHEMBL10440768 0.84 ALOX15 (0.39) LDHASRRALOX15HSD17B10ALDH1A1
SCHEMBL6497515 0.84 ALOX15 (0.34) LDHASRRALOX15HSD17B10ALDH1A1
SCHEMBL17975858 0.80 ALOX15 (0.40) LDHASRRALOX15HSD17B10ALDH1A1
SCHEMBL183654 0.78
SCHEMBL6035054 0.77 ALOX15 (0.34) ALOX15HSD17B10
SCHEMBL471838 0.76
SCHEMBL10554896 0.76 ALDH1A1 (0.53) LDHASRRALOX15HSD17B10ALDH1A1
SCHEMBL10553508 0.76 ALDH1A1 (0.53) LDHASRRALOX15HSD17B10ALDH1A1
SCHEMBL9335555 0.76 ALDH1A1 (0.53) LDHASRRALOX15HSD17B10ALDH1A1

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-6153322-A Methods for making fluorinated surface modifying agents, methods of using same and products made using same HOUSTON, UNIVERSITY OF 2000-11-28 US disclosed