SCHEMBL7763456

SCHEMBL7763456

C=Cc1ccccc1COCCCCCCBr

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GBA1 P04062 2/20 0.30
LCT P09848 2/20 0.30
SI P14410 2/20 0.30
UGCG Q16739 2/20 0.30
GBA2 Q9HCG7 2/20 0.30
MGAM O43451 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
SCHEMBL7766585 1.00 BCHE (0.34) BCHEACHEALDH1A1TDP1L3MBTL1
SCHEMBL3959527 0.98 ALDH1A1 (0.32) BCHEACHEALDH1A1
SCHEMBL7768663 0.94 ALDH1A1 (0.33) BCHEACHEALDH1A1
SCHEMBL9193908 0.92 ALDH1A1 (0.36) BCHEACHEALDH1A1TDP1L3MBTL1
SCHEMBL9193381 0.92 ALDH1A1 (0.36) BCHEACHEALDH1A1TDP1L3MBTL1
SCHEMBL9544583 0.87 L3MBTL1 (0.35) BCHEACHEALDH1A1TDP1L3MBTL1
SCHEMBL6675423 0.84 THRA (0.40) BCHEACHEALDH1A1TDP1L3MBTL1
SCHEMBL6678185 0.84 THRA (0.40) BCHEACHEALDH1A1TDP1L3MBTL1
SCHEMBL7061568 0.84 THRA (0.40) BCHEACHEALDH1A1TDP1L3MBTL1
SCHEMBL8945476 0.84 THRA (0.40) BCHEACHEALDH1A1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0670184-B1 Method of demineralizing water or an aqueous solution MITSUBISHI CHEM CORP (JP) 2001-09-05 EP disclosed
US-5518627-A DEMINERALIZATION, BASIC ANION EXCHANGE RESIN MITSUBISHI CHEMICAL CORPORATION (JP) 1996-05-21 US disclosed
EP-0670184-A2 Method of demineralizing water or an aqueous solution Mitsubishi Chemical Corporation (JP) 1995-09-06 EP disclosed