SCHEMBL5185604

SCHEMBL5185604

CCCNC(=O)c1ccc2c3ccc(C(=O)O)c4c(C(=O)O)ccc(c5ccc(C(=O)NCCC)c1c25)c43

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
THRB P10828 1/20 0.49
RECQL P46063 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CYP1A2 P05177 1/20 0.45
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
MAOB P27338 1/20 0.43
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 2/20 0.39
GAA P10253 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
SCHEMBL6076728 0.93 POLB (0.54) POLBL3MBTL1THRBRECQLTDP1
SCHEMBL30875593 0.91 HTT (0.57) L3MBTL1CYP1A2TSHRHTTALDH1A1
SCHEMBL4812105 0.91 HTT (0.57) L3MBTL1CYP1A2TSHRHTTALDH1A1
SCHEMBL30875601 0.89 TSHR (0.51) L3MBTL1TSHRHTTALDH1A1HPGD
SCHEMBL10892084 0.89 TSHR (0.51) L3MBTL1TSHRHTTALDH1A1HPGD
SCHEMBL2671340 0.89 TSHR (0.51) L3MBTL1TSHRHTTALDH1A1HPGD
SCHEMBL14823376 0.88 NAAA (0.54) L3MBTL1TSHRHTTALDH1A1HPGD
SCHEMBL29850750 0.88 NAAA (0.54) L3MBTL1TSHRHTTALDH1A1HPGD
SCHEMBL30194975 0.88 NAAA (0.54) L3MBTL1TSHRHTTALDH1A1HPGD
SCHEMBL418872 0.88 NAAA (0.54) L3MBTL1TSHRHTTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6319645-B1 USEFUL IN ELECTROPHOTOGRAPHIC IMAGING AND PRINTING XEROX CORPORATION 2001-11-20 US claimed
EP-1235117-B1 Imaging members XEROX CORP (US) 2007-07-11 EP disclosed
EP-1235117-A1 Imaging members Xerox Corporation (US) 2002-08-28 EP disclosed
US-6319645-B1 USEFUL IN ELECTROPHOTOGRAPHIC IMAGING AND PRINTING XEROX CORPORATION 2001-11-20 US disclosed