SCHEMBL8711316

SCHEMBL8711316

CCC(CO)(CO)CO.CCOC(OCC)=C(OCC)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALOX15 P16050 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
SOAT1 P35610 1/20 0.31
HCAR2 Q8TDS4 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
SCHEMBL10524663 0.84 ALDH1A1 (0.42) ALDH1A1KDM4EPKMLMNAHSD17B10
SCHEMBL738068 0.84 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL4303334 0.82 HCAR2 (0.34) ALDH1A1LMNAHCAR2
SCHEMBL8711311 0.79 ALDH1A1 (0.34) ALDH1A1KDM4EPKMCYP4F2CYP4A11
SCHEMBL10666269 0.78 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL10666273 0.78 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL1827344 0.76 KDM4E (0.30) KDM4EPKM
SCHEMBL28199299 0.76 ALDH1A1 (0.35) ALDH1A1KDM4EPKM
SCHEMBL4583441 0.76 ALDH1A1 (0.34) ALDH1A1KDM4EPKMCYP4F2CYP4A11
SCHEMBL2519775 0.76 ALDH1A1 (0.34) ALDH1A1KDM4EPKMCYP4F2CYP4A11

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
EP-0566353-B1 Photopolymerizable composition MITSUBISHI RAYON CO (JP) 1998-08-19 EP disclosed