SCHEMBL13864906

SCHEMBL13864906

COC(=O)c1ccc(C(=O)Oc2ccc(C3(c4ccc(C)cc4)CCCCC3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
SLC6A3 Q01959 1/20 0.51
KMT2A Q03164 7/20 0.46
ACR P10323 4/20 0.46
PRSS1 P07477 2/20 0.46
MEN1 O00255 2/20 0.46
HGFAC Q04756 1/20 0.46
ADORA3 P0DMS8 1/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
GBA1 P04062 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL13030420 0.96 TDP1 (0.49) TDP1SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL16775320 0.92 SLC6A2 (0.51) TDP1SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL139339 0.91 CA1 (0.57) TDP1KMT2AACRPRSS1MEN1
SCHEMBL13864983 0.90 KMT2A (0.43) TDP1SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL16784756 0.90 ESR1 (0.53) SLC6A2SLC6A4SLC6A3KMT2AACR
SCHEMBL16979801 0.89 TDP1 (0.47) TDP1SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL16979800 0.88 TDP1 (0.46) TDP1SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL18567135 0.86 ESR1 (0.49) SLC6A2SLC6A4SLC6A3KMT2AACR
SCHEMBL16979795 0.85 TDP1 (0.48) TDP1SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL2743135 0.83 ADORA3 (0.46) SLC6A2SLC6A4SLC6A3ADORA3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090123854-A1 IMAGE FORMING METHOD KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2009-05-14 US disclosed