SCHEMBL7585822

SCHEMBL7585822

CCOC(=O)Nc1cc(CC)c(CC)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
SMN1; SMN2 Q16637 4/20 0.51
RECQL P46063 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 4/20 0.49
HPGD P15428 3/20 0.49
POLB P06746 2/20 0.49
GALR2 O43603 1/20 0.49
MITF O75030 1/20 0.49
HSP90AA1 P07900 1/20 0.49
XBP1 P17861 1/20 0.49
CCR6 P51684 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPT P10636 6/20 0.46
PKM P14618 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL6004947 0.82 CYP1A2 (0.65) ALDH1A1SMN1; SMN2KMT2ALMNAPOLB
SCHEMBL5951632 0.81 KMT2A (0.55) ALDH1A1SMN1; SMN2RECQLKMT2ALMNA
SCHEMBL11159531 0.80 MAPT (0.62) ALDH1A1SMN1; SMN2KMT2ALMNACYP1A2
SCHEMBL2553087 0.79 KMT2A (0.56) ALDH1A1SMN1; SMN2KMT2ALMNAPOLB
SCHEMBL4993342 0.79 KMT2A (0.56) ALDH1A1SMN1; SMN2RECQLKMT2ALMNA
SCHEMBL7556196 0.78 SMN1; SMN2 (0.67) ALDH1A1SMN1; SMN2KMT2ALMNAPOLB
SCHEMBL6005076 0.78 KMT2A (0.69) ALDH1A1SMN1; SMN2KMT2ALMNAHPGD
SCHEMBL17656941 0.78 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2RECQLKMT2ALMNA
SCHEMBL6535747 0.78 KMT2A (0.62) ALDH1A1SMN1; SMN2KMT2AHPGDPOLB
SCHEMBL8700206 0.77 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2RECQLKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0813608-B1 OSMIUM-CONTAINING REDOX MEDIATOR ROCHE DIAGNOSTICS CORP (US) 2002-09-04 EP disclosed
EP-0813608-A4 OSMIUM-CONTAINING REDOX MEDIATOR ROCHE DIAGNOSTICS CORP (US) 2000-02-09 EP disclosed
US-5846702-A Reagent including an osmium-containing redox mediator BOEHRINGER MANNHEIM CORPORATION (US) 1998-12-08 US disclosed
EP-0813608-A1 OSMIUM-CONTAINING REDOX MEDIATOR BOEHRINGER MANNHEIM CORPORATION (US) 1997-12-29 EP disclosed
US-5589326-A FOR ELECTROCHEMICAL BIOSENSORS BOEHRINGER MANNHEIM CORPORATION (US) 1996-12-31 US disclosed
WO-1996025514-A1 OSMIUM-CONTAINING REDOX MEDIATOR BOEHRINGER MANNHEIM CORPORATION (US) 1996-08-22 WO disclosed