SCHEMBL4644582

SCHEMBL4644582

C=C(C)C(=O)OC(C(=O)O[SiH](c1ccccc1)c1ccccc1)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.35
ATM Q13315 3/20 0.33
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.31
XBP1 P17861 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HPGD P15428 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
SCHEMBL27520873 0.77 ELANE (0.46) ELANEATMMAPTALDH1A1TDP1
SCHEMBL4644892 0.74 ATM (0.39) ATMMAPTL3MBTL1ALDH1A1TDP1
SCHEMBL4647639 0.73 ATM (0.38) ATMMAPTL3MBTL1ALDH1A1TDP1
SCHEMBL5855680 0.71 ALDH1A1 (0.39) ALDH1A1
SCHEMBL6054093 0.70 ELANE (0.43) ELANEATMMAPTL3MBTL1ALDH1A1
SCHEMBL1493637 0.70 HPGD (0.42) ELANEATML3MBTL1ALDH1A1TDP1
SCHEMBL5838708 0.70 ELANE (0.41) ELANEATMMAPTALDH1A1TDP1
SCHEMBL7344623 0.69 ATM (0.37) ELANEATMMAPTL3MBTL1ALDH1A1
SCHEMBL9802325 0.69 ATM (0.37) ATMMAPTL3MBTL1ALDH1A1TDP1
SCHEMBL12184248 0.68 ELANE (0.46) ELANEATMMAPTL3MBTL1ALDH1A1

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
EP-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed