SCHEMBL8844836

SCHEMBL8844836

O=S(=O)(c1ccccc1)c1ccccc1-c1ccc(-c2ccccc2S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.55
HSD11B1 P28845 1/20 0.51
ALOX5AP P20292 1/20 0.49
FEN1 P39748 1/20 0.49
KMT2A Q03164 1/20 0.48
PTGS2 P35354 1/20 0.48
AKR1B1 P15121 1/20 0.47
MMP1 P03956 3/20 0.46
MMP2 P08253 3/20 0.46
MMP9 P14780 3/20 0.46
MMP8 P22894 3/20 0.46
MMP12 P39900 3/20 0.46
MMP13 P45452 3/20 0.46
MMP14 P50281 3/20 0.46
MMP16 P51512 3/20 0.46
MMP3 P08254 2/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL9242466 0.96 HTR6 (0.55) HTR6HSD11B1ALOX5APFEN1KMT2A
SCHEMBL6899092 0.91 POLB (0.54) HTR6HSD11B1ALOX5APFEN1KMT2A
SCHEMBL7643603 0.91 PTGS2 (0.54) HTR6HSD11B1ALOX5APFEN1KMT2A
SCHEMBL9793431 0.89 HTR6 (0.62) HTR6KMT2ATSHRHTTPOLB
Ethylenediamine SCHEMBL28210540 0.87 HTR6 (0.52) HTR6HSD11B1ALOX5APFEN1KMT2A
SCHEMBL31463127 0.84 AKR1B1 (0.56) HTR6HSD11B1KMT2APTGS2AKR1B1
SCHEMBL20379701 0.83 HTR6 (0.56) HTR6HSD11B1ALOX5APFEN1KMT2A
SCHEMBL28049491 0.83 PTGS2 (0.46) HTR6HSD11B1ALOX5APFEN1KMT2A
SCHEMBL28175716 0.83 LMNA (0.55) HSD11B1PTGS2AKR1B1MMP1MMP2
SCHEMBL5161585 0.83 PTGS2 (0.54) HSD11B1KMT2APTGS2AKR1B1MMP1

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-5650548-A Olefin oligomerization process AMOCO CORPORATION (US) 1997-07-22 US disclosed