SCHEMBL5577217

SCHEMBL5577217

CC(C)(C)OC(=O)c1ccc(/N=N/c2ccc(OCCCCCCBr)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.48
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
PRSS1 P07477 1/20 0.43
ACR P10323 1/20 0.43
MAPT P10636 1/20 0.43
PPARG P37231 3/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
PPARD Q03181 6/20 0.42
PLA2G4B P0C869 1/20 0.42
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
GPR119 Q8TDV5 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL5577218 1.00 PPARA (0.48) PPARAGAAL3MBTL1PRSS1ACR
SCHEMBL11032267 0.92 GAA (0.54) GAAL3MBTL1MAPTTP53TSHR
SCHEMBL5577156 0.89 PPARA (0.47) PPARAGAAL3MBTL1PRSS1ACR
SCHEMBL5577154 0.89 PPARA (0.47) PPARAGAAL3MBTL1PRSS1ACR
SCHEMBL26088754 0.81 GAA (0.54) GAAL3MBTL1MAPTTP53TSHR
SCHEMBL26091436 0.81 GAA (0.54) GAAL3MBTL1MAPTTP53TSHR
SCHEMBL15210582 0.79 TP53 (0.58) L3MBTL1TP53TSHRPLA2G4BHTT
SCHEMBL15210581 0.79 TP53 (0.58) L3MBTL1TP53TSHRPLA2G4BHTT
SCHEMBL558993 0.79 MAPT (0.53) GAAL3MBTL1MAPTTP53TSHR
SCHEMBL1743906 0.79 MAPT (0.53) GAAL3MBTL1MAPTTP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263192-B2 Methods for modifying surfaces THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-09-11 US disclosed
US-20070134420-A1 Methods for modifying surfaces THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2007-06-14 US disclosed
WO-2005060668-A2 METHODS OF MODIFYING SURFACES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OFNEW YORK (US) 2005-07-07 WO disclosed