SCHEMBL5577154

SCHEMBL5577154

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.47
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
PRSS1 P07477 1/20 0.43
ACR P10323 1/20 0.43
MAPT P10636 1/20 0.42
PPARG P37231 3/20 0.42
GPR119 Q8TDV5 1/20 0.42
TSHR P16473 2/20 0.42
TP53 P04637 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41

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
SCHEMBL5577156 1.00 PPARA (0.47) PPARAGAAL3MBTL1PRSS1ACR
SCHEMBL5577217 0.89 PPARA (0.48) PPARAGAAL3MBTL1PRSS1ACR
SCHEMBL5577218 0.89 PPARA (0.48) PPARAGAAL3MBTL1PRSS1ACR
SCHEMBL5577017 0.81 TP53 (0.59) L3MBTL1TSHRTP53HDAC3HDAC4
SCHEMBL4410600 0.81 TP53 (0.59) L3MBTL1TSHRTP53HDAC3HDAC4
SCHEMBL11032267 0.80 GAA (0.54) GAAL3MBTL1MAPTGPR119TSHR
SCHEMBL26088754 0.80 GAA (0.54) GAAL3MBTL1MAPTGPR119TSHR
SCHEMBL26091436 0.80 GAA (0.54) GAAL3MBTL1MAPTGPR119TSHR
SCHEMBL18064417 0.79 HDAC3 (0.62) PPARAGAAPRSS1HDAC3HDAC4
SCHEMBL2183439 0.78 PPARA (0.58) PPARAGAAL3MBTL1MAPTTSHR

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