SCHEMBL4306318

SCHEMBL4306318

COC(=O)OCC(C)c1cc(I)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
AR P10275 2/20 0.39
PELP1 Q8IZL8 1/20 0.39
HCAR3 P49019 1/20 0.39
MYC P01106 1/20 0.37
MAX P61244 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 2/20 0.36
CES2 O00748 1/20 0.36
ABCB11 O95342 1/20 0.36
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CHRM1 P11229 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
TBXA2R P21731 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
SCHEMBL6833493 0.95 ALDH1A1 (0.40) ALDH1A1ARPELP1HCAR3MYC
SCHEMBL6830860 0.87 ALDH1A1 (0.38) ALDH1A1ARPELP1HCAR3MYC
SCHEMBL4305092 0.85 ALDH1A1 (0.44) ALDH1A1ARPELP1HCAR3SMN1; SMN2
SCHEMBL4308070 0.85 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KMT2ALMNATSHR
SCHEMBL4303842 0.81 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2KMT2ALMNAABCB11
SCHEMBL6834126 0.80 TDP1 (0.45) ALDH1A1SMN1; SMN2LMNACYP1A2TSHR
SCHEMBL26530223 0.80 MAPK1 (0.50) ALDH1A1HCAR3SMN1; SMN2KMT2ALMNA
SCHEMBL4303115 0.79 ALOX15 (0.36) ALDH1A1ARSMN1; SMN2LMNACES2
SCHEMBL6834433 0.79 ALDH1A1 (0.40) ALDH1A1HCAR3KMT2ALMNACYP1A2
SCHEMBL6834233 0.79 MAPK1 (0.47) ALDH1A1SMN1; SMN2KMT2ATSHRMAPK1

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 9 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
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
EP-1480927-A2 A METHOD FOR CLEAVAGE OF LABILE FUNCTIONAL GROUPS FROM CHEMICAL COMPOUNDS Universität Konstanz (DE) 2004-12-01 EP disclosed
WO-2004001033-A2 A METHOD OF CLEAVING LABILE FUNCTIONAL GROUPS FROM CHEMICAL COMPOUNDS CHEMOGENIX GMBH (DE) 2003-12-31 WO disclosed
WO-2003074542-A2 A METHOD FOR CLEAVAGE OF LABILE FUNCTIONAL GROUPS FROM CHEMICAL COMPOUNDS Universität Konstanz (DE) 2003-09-12 WO disclosed