SCHEMBL6204947

SCHEMBL6204947

CCOS(=O)(=O)c1ccc(C)c(OCCCl)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.37
TSHR P16473 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HTT P42858 6/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
MAPT P10636 3/20 0.35
GAA P10253 1/20 0.35
XBP1 P17861 1/20 0.35
KMT2A Q03164 2/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
PPARA Q07869 1/20 0.33

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
SCHEMBL28311125 0.86 ALDH1A1 (0.43) LMNATSHRALDH1A1HTTMAPT
SCHEMBL27511647 0.86 HTT (0.44) LMNATSHRALDH1A1HTTMAPT
SCHEMBL28488096 0.86 TSHR (0.39) LMNATSHRALDH1A1HTTBCHE
SCHEMBL6421674 0.84 NCF1 (0.36) LMNATSHRALDH1A1HTTBCHE
Water SCHEMBL28355074 0.83 HTT (0.42) LMNATSHRALDH1A1HTTMAPT
SCHEMBL28878440 0.82 HTT (0.41) LMNATSHRALDH1A1HTTMAPT
SCHEMBL28635566 0.82 BRD4 (0.42) LMNA
SCHEMBL29192744 0.81 RARB (0.37) LMNATSHRALDH1A1HTTMAPT
SCHEMBL8678942 0.81 BCHE (0.32) HTTBCHEACHE
SCHEMBL5310644 0.80 TSHR (0.44) LMNATSHRALDH1A1HTTMAPT

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-1468274-A4 POTASSIUM FLUOROIONOPHORE BAYER AG (US) 2005-04-20 EP disclosed
EP-1468274-A1 POTASSIUM FLUOROIONOPHORE Bayer Corporation (US) 2004-10-20 EP disclosed
WO-2003056310-A1 POTASSIUM FLUOROIONOPHORE BAYER CORPORATION (US) 2003-07-10 WO disclosed