SCHEMBL27447809

SCHEMBL27447809

CC=C(C(=O)OCC)N(CC)CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.42
GLO1 Q04760 1/20 0.42
CYP2C9 P11712 1/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.38
CYP2D6 P10635 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35

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
SCHEMBL9840431 0.82 NPSR1 (0.57) NPSR1GLO1CYP2C9ALDH1A1LMNA
SCHEMBL9840436 0.82 NPSR1 (0.57) NPSR1GLO1CYP2C9ALDH1A1LMNA
SCHEMBL28196179 0.80 LMNA (0.34) ALDH1A1LMNAMEN1KMT2AEGLN1
SCHEMBL5613842 0.80 CYP2C9 (0.44) NPSR1GLO1CYP2C9ALDH1A1LMNA
SCHEMBL27908571 0.75 FAAH (0.50) NPSR1CYP2C9LMNAHSD17B10MEN1
SCHEMBL2566339 0.75 ALDH1A1 (0.43) NPSR1GLO1CYP2C9ALDH1A1LMNA
Sulfuric Acid SCHEMBL28731477 0.74 CYP2C9 (0.40) NPSR1GLO1CYP2C9ALDH1A1LMNA
SCHEMBL22701443 0.74 CYP2C9 (0.40) NPSR1GLO1CYP2C9ALDH1A1LMNA
SCHEMBL515924 0.71 ALDH1A1 (0.47) NPSR1GLO1CYP2C9ALDH1A1LMNA
Acrylic Acid SCHEMBL28306904 0.71 CYP2C9 (0.38) NPSR1GLO1CYP2C9ALDH1A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1037898-C Composite inorganic filler particles with retention profile, method for making same and use thereof INST OF ORAL MEDICINE BEIJING (CN) 1998-04-01 CN disclosed
CN-1101544-A Composite inorganic filler particle with retention force outer form and its producing method and use STOMATOLOGY INST BEIJING MEDIC (CN) 1995-04-19 CN disclosed