SCHEMBL5044150

SCHEMBL5044150

CCC(O)C(O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.49
CTNNB1 P35222 1/20 0.49
ALDH1A1 P00352 5/20 0.48
HTR2A P28223 1/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
PTGS2 P35354 1/20 0.45
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 2/20 0.44

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
SCHEMBL30579722 0.83 BCL9 (0.51) BCL9CTNNB1ALDH1A1HTR2AMAPT
SCHEMBL11282600 0.79 MEN1 (0.50) BCL9CTNNB1ALDH1A1HTR2AMAPT
SCHEMBL6377951 0.78 HTR2A (0.49) BCL9CTNNB1ALDH1A1HTR2AMAPT
SCHEMBL6377945 0.78 HTR2A (0.49) BCL9CTNNB1ALDH1A1HTR2AMAPT
SCHEMBL9386790 0.78 MEN1 (0.55) BCL9CTNNB1ALDH1A1HTR2AMAPT
SCHEMBL10875695 0.77 BCL9 (0.49) BCL9CTNNB1ALDH1A1HTR2AMAPT
SCHEMBL31144660 0.77 CA1 (0.53) BCL9CTNNB1ALDH1A1HTR2AMAPT
SCHEMBL27508148 0.77 CA1 (0.47) BCL9CTNNB1ALDH1A1HTR2AMAPT
SCHEMBL3629791 0.76 SMN1; SMN2 (0.56) BCL9CTNNB1ALDH1A1HTR2AMAPT
Ammonia Solution, Strong SCHEMBL28128418 0.76 MEN1 (0.54) BCL9CTNNB1ALDH1A1HTR2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070264680-A1 Method and Test-Kit for the Detection and Quantification of Organisms PROTEUS S.A. (FR) 2007-11-15 US claimed
EP-1727909-B1 METHOD AND TEST-KIT FOR THE DETECTION AND QUANTIFICATION OF ORGANISMS EVONIK GOLDSCHMIDT GMBH (DE) 2008-12-10 EP disclosed
US-20070264680-A1 Method and Test-Kit for the Detection and Quantification of Organisms PROTEUS S.A. (FR) 2007-11-15 US disclosed
EP-1727909-A1 METHOD AND TEST-KIT FOR THE DETECTION AND QUANTIFICATION OF ORGANISMS Goldschmidt GmbH (DE) 2006-12-06 EP disclosed
WO-2005093089-A1 METHOD AND TEST-KIT FOR THE DETECTION AND QUANTIFICATION OF ORGANISMS GOLDSCHMIDT GESELLSCHAFT MIT BESCHRÄNKTER HAFTUNG (DE) 2005-10-06 WO disclosed