SCHEMBL17066375

SCHEMBL17066375

CCOC(=O)C(CO)C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
LMNA P02545 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GAA P10253 2/20 0.39
ALOX15 P16050 1/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
POLB P06746 1/20 0.39
SOAT1 P35610 1/20 0.39
TDP1 Q9NUW8 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MMP8 P22894 1/20 0.36
TRPA1 O75762 1/20 0.36
GLO1 Q04760 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP2D6 P10635 1/20 0.34

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
SCHEMBL5396057 0.87 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10GAAALOX15
SCHEMBL8747403 0.83 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10GAAALOX15
SCHEMBL1437603 0.83 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10GAAALOX15
SCHEMBL28474376 0.83 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10GAAALOX15
SCHEMBL856078 0.83 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10GAAALOX15
Benzene SCHEMBL5861523 0.81 TDP1 (0.49) ALDH1A1LMNAHSD17B10ALOX15POLB
SCHEMBL28368887 0.81 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10GAAALOX15
SCHEMBL10422862 0.81 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10GAAALOX15
SCHEMBL17685839 0.81 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10GAAALOX15
SCHEMBL29049226 0.81 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10GAAALOX15

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-9127000-B2 Heterocyclic compounds and uses thereof Intellikine, LLC. (US) 2015-09-08 US disclosed