SCHEMBL2057147

SCHEMBL2057147

COC(=O)Cc1ccc(OCCOc2ccc(OC)cc2[N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.53
HPGD P15428 1/20 0.53
RAB9A P51151 5/20 0.52
MAPT P10636 10/20 0.50
NPC1 O15118 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
MAPK1 P28482 3/20 0.50
KMT2A Q03164 3/20 0.50
LMNA P02545 2/20 0.48
ALPG P10696 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.45
THRB P10828 1/20 0.45

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
SCHEMBL29875283 0.88 MAPT (0.49) ALDH1A1HPGDRAB9AMAPTNPC1
SCHEMBL19926028 0.88 MAPT (0.49) ALDH1A1HPGDRAB9AMAPTNPC1
SCHEMBL28547215 0.88 ALDH1A1 (0.60) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL2057179 0.87 RAB9A (0.58) ALDH1A1HPGDRAB9AMAPTNPC1
SCHEMBL28544205 0.86 MAPT (0.52) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL27533623 0.85 ALDH1A1 (0.54) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL6986744 0.85 ALDH1A1 (0.61) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL28534169 0.84 MAPT (0.59) ALDH1A1MAPTSMN1; SMN2KMT2ALMNA
SCHEMBL3997623 0.84 RAB9A (0.55) ALDH1A1HPGDRAB9AMAPTNPC1
SCHEMBL28534185 0.83 MAPT (0.58) ALDH1A1MAPTSMN1; SMN2KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021372-A1 Compositions and methods for detection and isolation of phosphorylated molecules Life Technologies Corporation (US) 2011-01-27 US disclosed
US-7776533-B2 Compositions and methods for detection and isolation of phosphorylated molecules Life Technologies Corporation (US) 2010-08-17 US disclosed
US-20100009381-A1 Compositions and methods for detection and isolation of phosphorylated molecules Life Technologies Corporation (US) 2010-01-14 US disclosed
US-7445894-B2 Compositions and methods for detection and isolation of phosphorylated molecules MOLECULAR PROBES, INC. (US) 2008-11-04 US disclosed
US-20080044804-A1 COMPOSITIONS AND METHODS FOR DETECTION AND ISOLATION OF PHOSPHORYLATED MOLECULES INVITROGEN CORPORATION (US) 2008-02-21 US disclosed
US-20070054304-A1 COMPOSITIONS AND METHODS FOR DETECTION AND ISOLATION OF PHOSPHORYLATED MOLECULES INVITROGEN CORPORATION (US) 2007-03-08 US disclosed
US-7102005-B2 Compositions and methods for detection and isolation of phosphorylated molecules MOLECULAR PROBES, INC. (US) 2006-09-05 US disclosed
EP-1546118-A2 COMPOSITIONS AND METHODS FOR DETECTION AND ISOLATION OF PHOSPHORYLATED MOLECULES Molecular Probes Inc. (US) 2005-06-29 EP disclosed
WO-2005047901-A2 COMPOSITIONS AND METHODS FOR DETECTION AND ISOLATION PHOSPHORYLATED MOLECULES MOLECULAR PROBES, INC. (US) 2005-05-26 WO disclosed
US-20050014197-A1 Compositions and methods for detection and isolation of phosphorylated molecules MOLECULAR PROBES, INC. 2005-01-20 US disclosed
US-20040171034-A1 Compositions and methods for detection and isolation of phosphorylated molecules MOLECULAR PROBES, INC. 2004-09-02 US disclosed
WO-2004042347-A2 COMPOSITIONS AND METHODS FOR DETECTION AND ISOLATION OF PHOSPHORYLATED MOLECULES MOLECULAR PROBES, INC. (US) 2004-05-21 WO disclosed
US-20040038306-A1 Compositions and methods for detection and isolation of phosphorylated molecules MOLECULAR PROBES, INC. 2004-02-26 US disclosed