SCHEMBL28501142

SCHEMBL28501142

CCCC(C)COC(=O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MAPT P10636 3/20 0.38
KDM4E B2RXH2 3/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.37
ALOX15 P16050 1/20 0.37
HSPD1 P10809 1/20 0.34
BLM P54132 1/20 0.34
HSPE1 P61604 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
SLC13A5 Q86YT5 4/20 0.32
HPGD P15428 1/20 0.31
RECQL P46063 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GPR88 Q9GZN0 1/20 0.31
CYP3A4 P08684 1/20 0.30
ATM Q13315 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
SCHEMBL425246 0.89 ALDH1A1 (0.54) ALDH1A1MAPTKDM4ELMNATSHR
SCHEMBL28496264 0.88 ALDH1A1 (0.48) ALDH1A1MAPTKDM4ELMNATSHR
SCHEMBL24971052 0.85 ALDH1A1 (0.46) ALDH1A1MAPTKDM4ELMNATSHR
SCHEMBL536764 0.84 ALDH1A1 (0.48) ALDH1A1MAPTKDM4ELMNATSHR
SCHEMBL31648603 0.84 ALDH1A1 (0.42) ALDH1A1MAPTKDM4ELMNATSHR
SCHEMBL23235052 0.83 MAPT (0.33) MAPTLMNATSHRGPR88CYP3A4
SCHEMBL7522557 0.82 ALDH1A1 (0.43) ALDH1A1MAPTKDM4ELMNATSHR
SCHEMBL429385 0.82 ALDH1A1 (0.43) ALDH1A1MAPTKDM4ELMNATSHR
SCHEMBL2829363 0.82 ALDH1A1 (0.54) ALDH1A1MAPTKDM4ELMNATSHR
SCHEMBL28706880 0.82 ALDH1A1 (0.46) ALDH1A1MAPTKDM4ELMNATSHR

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
CN-112041383-A Plasticizer composition and resin composition comprising the same 株式会社LG化学 2020-12-04 CN disclosed