SCHEMBL6233782

SCHEMBL6233782

COC(=O)OCCc1c(Cl)cccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.46
MAPT P10636 4/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HPGD P15428 1/20 0.46
POLB P06746 1/20 0.45
KDM4E B2RXH2 1/20 0.43
THRB P10828 1/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
PKM P14618 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7646940 0.85 ALDH1A1 (0.46) ALDH1A1MAPTNPSR1HPGDPOLB
SCHEMBL4314662 0.79 ALDH1A1 (0.54) ALDH1A1MAPTNPSR1POLBKDM4E
SCHEMBL21519389 0.78 ALDH1A1 (0.49) ALDH1A1MAPTNPSR1HPGDPOLB
SCHEMBL7784647 0.77 ALDH1A1 (0.54) ALDH1A1MAPTNPSR1HPGDPOLB
SCHEMBL7644933 0.76 GPR35 (0.43) ALDH1A1MAPTNPSR1KDM4ELMNA
SCHEMBL4309273 0.75 ALDH1A1 (0.52) ALDH1A1MAPTNPSR1HPGDPOLB
SCHEMBL17146210 0.75 ALDH1A1 (0.46) ALDH1A1MAPTNPSR1HPGDPOLB
SCHEMBL5739943 0.75 ALDH1A1 (0.49) ALDH1A1MAPTNPSR1HPGDPOLB
SCHEMBL27617317 0.74 LMNA (0.41) ALDH1A1MAPTNPSR1HPGDPOLB
SCHEMBL18185034 0.74 LMNA (0.48) ALDH1A1MAPTNPSR1HPGDPOLB

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-7598019-B2 Method for cleavage of labile functional groups from chemical compounds UNIVERSITAT KONSTANZ (DE) 2009-10-06 US disclosed
US-7598019-B2 Method for cleavage of labile functional groups from chemical compounds UNIVERSITAT KONSTANZ (DE) 2009-10-06 US disclosed
US-20050170281-A1 Method of cleaving labile functional groups from chemical compounds NIMBLEGEN SYSTEMS, INC. 2005-08-04 US disclosed
EP-1519941-A2 A METHOD OF CLEAVING LABILE FUNCTIONAL GROUPS FROM CHEMICAL COMPOUNDS Chemogenix GmbH (DE) 2005-04-06 EP disclosed
WO-2004001033-A2 A METHOD OF CLEAVING LABILE FUNCTIONAL GROUPS FROM CHEMICAL COMPOUNDS CHEMOGENIX GMBH (DE) 2003-12-31 WO disclosed