SCHEMBL28032709

SCHEMBL28032709

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
MAPT P10636 1/20 0.41
LMNA P02545 2/20 0.40
HSD17B10 Q99714 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GLO1 Q04760 1/20 0.40
TSHR P16473 1/20 0.39
ALOX15 P16050 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SOAT1 P35610 1/20 0.39
EGLN1 Q9GZT9 1/20 0.38
TRPA1 O75762 1/20 0.36
CYP2D6 P10635 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GPR35 Q9HC97 2/20 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
SCHEMBL2458296 0.83 ALDH1A1 (0.43) ALDH1A1MAPTLMNAHSD17B10NPSR1
SCHEMBL11362082 0.82 ALDH1A1 (0.39) ALDH1A1MAPTLMNAHSD17B10NPSR1
SCHEMBL6676758 0.81 ALDH1A1 (0.42) ALDH1A1MAPTLMNAHSD17B10NPSR1
SCHEMBL1088298 0.81 ALDH1A1 (0.42) ALDH1A1MAPTLMNAHSD17B10NPSR1
SCHEMBL6674982 0.81 ALDH1A1 (0.42) ALDH1A1MAPTLMNAHSD17B10NPSR1
SCHEMBL166879 0.80 ALDH1A1 (0.46) ALDH1A1MAPTLMNAHSD17B10NPSR1
SCHEMBL7770114 0.80 MAPT (0.42) ALDH1A1MAPTLMNAHSD17B10NPSR1
SCHEMBL7770109 0.80 MAPT (0.42) ALDH1A1MAPTLMNAHSD17B10NPSR1
SCHEMBL7770117 0.80 MAPT (0.42) ALDH1A1MAPTLMNAHSD17B10NPSR1
SCHEMBL1445319 0.79 ALDH1A1 (0.40) ALDH1A1MAPTLMNAHSD17B10NPSR1

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-115867544-A Substituted coumarin dyes and their use as fluorescent labels 伊鲁米纳剑桥有限公司 2023-03-28 CN disclosed
CN-104955825-A Radiolabeled compounds HOFFMANN LA ROCHE 2015-09-30 CN disclosed