SCHEMBL28855702

SCHEMBL28855702

CCOC(=O)C(Cl)CCC=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
ALDH1A1 P00352 6/20 0.36
LMNA P02545 2/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP2D6 P10635 3/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
SOAT1 P35610 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
CPB2 Q96IY4 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GLO1 Q04760 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
SCHEMBL2868181 0.83 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10CYP2D6CYP2C19
SCHEMBL27856197 0.82 ALDH1A1 (0.38) MAPTALDH1A1LMNAHSD17B10CYP2D6
SCHEMBL27973284 0.82 CA1 (0.34) MAPTSMN1; SMN2TSHR
SCHEMBL7337554 0.79 MAPT (0.44) MAPTALDH1A1LMNAHSD17B10CYP2D6
SCHEMBL27588334 0.79 ALDH1A1 (0.39) MAPTALDH1A1LMNAHSD17B10CYP2D6
SCHEMBL6755582 0.79 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10CYP2D6CYP2C19
SCHEMBL8149342 0.79 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10CYP2D6CYP2C19
SCHEMBL27631184 0.79 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10CYP2D6CYP2C19
SCHEMBL2858639 0.79 CPB2 (0.43) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL15429377 0.78 MAPT (0.43) MAPTALDH1A1LMNAHSD17B10CYP2D6

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-107567443-A biaryl derivatives as GPR120 agonists 株式会社LG化学 2018-01-09 CN disclosed