SCHEMBL4300489

SCHEMBL4300489

COC(=O)OCC(C)c1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
ABCB1 P08183 1/20 0.41
ABCC1 P33527 1/20 0.41
KDM4E B2RXH2 1/20 0.39
HCAR3 P49019 1/20 0.39
PDK1 Q15118 1/20 0.39
PKM P14618 4/20 0.38
MAPK1 P28482 2/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4305092 0.90 ALDH1A1 (0.44) ALDH1A1ABCB1ABCC1KDM4EHCAR3
SCHEMBL6834433 0.84 ALDH1A1 (0.40) ALDH1A1ABCB1ABCC1KDM4EHCAR3
SCHEMBL16016739 0.81 PDK1 (0.44) ALDH1A1KDM4EHCAR3PDK1PKM
SCHEMBL12782425 0.81 ALDH1A1 (0.48) ALDH1A1ABCB1ABCC1KDM4EHCAR3
SCHEMBL4303842 0.81 ALDH1A1 (0.62) ALDH1A1ABCB1RAB9ALMNASMN1; SMN2
SCHEMBL395221 0.80 ALDH1A1 (0.64) ALDH1A1ABCB1ABCC1KDM4EPDK1
SCHEMBL30558592 0.80 ALDH1A1 (0.64) ALDH1A1ABCB1ABCC1KDM4EPDK1
SCHEMBL6234820 0.79 PDK1 (0.41) ALDH1A1ABCB1ABCC1KDM4EPDK1
SCHEMBL6833502 0.77 ALDH1A1 (0.38) ALDH1A1ABCB1ABCC1KDM4EHCAR3
SCHEMBL4308070 0.77 ALDH1A1 (0.46) ALDH1A1PKMMAPK1LMNASMN1; SMN2

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
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-7598019-B2 Method for cleavage of labile functional groups from chemical compounds UNIVERSITAT KONSTANZ (DE) 2009-10-06 US disclosed
US-20050255403-A1 Method for cleavage of labile functional groups from chemical compounds UNIVERSITAT KONSTANZ (DE) 2005-11-17 US disclosed
EP-1480927-A2 A METHOD FOR CLEAVAGE OF LABILE FUNCTIONAL GROUPS FROM CHEMICAL COMPOUNDS Universität Konstanz (DE) 2004-12-01 EP disclosed
WO-2003074542-A2 A METHOD FOR CLEAVAGE OF LABILE FUNCTIONAL GROUPS FROM CHEMICAL COMPOUNDS Universität Konstanz (DE) 2003-09-12 WO disclosed