SCHEMBL6465508

SCHEMBL6465508

O=S(=O)(CC=Cc1ccccc1)CC=Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.52
LMNA P02545 2/20 0.47
PPARG P37231 1/20 0.47
NFE2L2 Q16236 1/20 0.47
IDO1 P14902 2/20 0.47
MAOB P27338 2/20 0.44
HTR2A P28223 3/20 0.44
ALDH1A1 P00352 2/20 0.43
TRPA1 O75762 1/20 0.43
ALOX5 P09917 1/20 0.43
MAPK1 P28482 1/20 0.43
ALDH3A1 P30838 1/20 0.42
RCE1 Q9Y256 1/20 0.42

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
SCHEMBL10986652 0.90 PAM (0.47) PAMLMNAPPARGNFE2L2IDO1
SCHEMBL10701251 0.90 PAM (0.47) PAMLMNAPPARGNFE2L2IDO1
SCHEMBL9359197 0.85 PAM (0.43) PAMLMNAPPARGNFE2L2IDO1
SCHEMBL9561768 0.85 PAM (0.43) PAMLMNAPPARGNFE2L2IDO1
SCHEMBL1172422 0.83 PAM (0.48) PAMLMNAPPARGNFE2L2IDO1
SCHEMBL3398493 0.83 IDO1 (0.48) PAMLMNAPPARGNFE2L2IDO1
SCHEMBL2725744 0.83 PAM (0.53) PAMLMNAPPARGNFE2L2IDO1
SCHEMBL4842131 0.83 PAM (0.48) PAMLMNAPPARGNFE2L2IDO1
SCHEMBL2872172 0.83 PAM (0.53) PAMLMNAPPARGNFE2L2IDO1
SCHEMBL15413488 0.83 PAM (0.48) PAMLMNAPPARGNFE2L2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050042676-A1 Characterising polypeptides ELECTROPHORETICS LIMITED (GB) 2005-02-24 US disclosed
EP-1397505-A2 CHARACTERISING POLYPEPTIDES Xzillion GmbH & CO.KG (DE) 2004-03-17 EP disclosed
EP-1267170-A1 Method for characterising polypeptides Xzillion GmbH & CO.KG (DE) 2002-12-18 EP disclosed
WO-2002099124-A2 CHARACTERISING POLYPEPTIDES XZILLION GMBH & CO. KG (DE) 2002-12-12 WO disclosed