SCHEMBL28706397

SCHEMBL28706397

O=C1OCCOC(=O)c2cc(Br)cc1c2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
BLM P54132 1/20 0.33
ALDH1A1 P00352 1/20 0.31
PRKDC P78527 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
DYRK1A Q13627 1/20 0.30
DYRK2 Q92630 1/20 0.30
DYRK1B Q9Y463 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
SCHEMBL102784 0.75 ITGB2 (0.38) LMNAHTTALDH1A1KMT2ADYRK1A
SCHEMBL14067104 0.75 ITGB2 (0.38) LMNAHTTALDH1A1KMT2ADYRK1A
Potassium SCHEMBL30808411 0.73 ITGB2 (0.36) LMNAHTTALDH1A1KMT2ADYRK1A
Hydrogen Sulfide SCHEMBL28295724 0.73 ITGB2 (0.36) LMNAHTTALDH1A1KMT2ADYRK1A
Lithium SCHEMBL30114456 0.73 ITGB2 (0.36) LMNAHTTALDH1A1KMT2ADYRK1A
SCHEMBL209608 0.71 CA1 (0.37) MAPTLMNAHTTALDH1A1KMT2A
SCHEMBL2232672 0.71 KMT2A (0.36) LMNAHTTALDH1A1PRKDCMEN1
SCHEMBL1425285 0.71 RXRB (0.40) MAPTALDH1A1PRKDCGAAL3MBTL1
SCHEMBL22419 0.71 ITGB2 (0.43) MAPTLMNAHTTALDH1A1MEN1
SCHEMBL3874923 0.71 ITGB2 (0.43) MAPTLMNAHTTALDH1A1MEN1

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-114108124-A Moisture-absorbing and sweat-releasing special-shaped flame-retardant cationic polyester fiber and preparation method thereof 江苏恒科新材料有限公司 2022-03-01 CN disclosed