SCHEMBL8601618

SCHEMBL8601618

CCN(CC)c1ccc(Cc2ccccc2S(=O)(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 16/20 0.46
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HSP90AA1 P07900 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CNR1 P21554 8/20 0.44
HSD11B1 P28845 1/20 0.42
ALDH3A1 P30838 1/20 0.41
ALDH1A3 P47895 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NOX1 Q9Y5S8 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
Sulfuric Acid SCHEMBL7589189 0.80 CNR2 (0.59) CNR2ALDH1A1MEN1KMT2AHSP90AA1
SCHEMBL29740732 0.79 BCL2 (0.50) CYP2C9L3MBTL1
SCHEMBL7738158 0.79 BCL2 (0.50) CYP2C9L3MBTL1
Sulfuric Acid SCHEMBL6092879 0.79 ALDH1A1 (0.58) CNR2ALDH1A1MEN1KMT2AHSP90AA1
SCHEMBL2114132 0.79 TSHR (0.50) CNR2ALDH1A1MEN1KMT2AHSP90AA1
SCHEMBL30710182 0.77 CA1 (0.41) ALDH1A1HSD11B1NPC1RAB9A
SCHEMBL10658913 0.77 TSHR (0.40) CNR2ALDH1A1MEN1KMT2AHSP90AA1
SCHEMBL31425768 0.75 MYC (0.47) L3MBTL1
SCHEMBL31425767 0.75 MYC (0.47) L3MBTL1
SCHEMBL14991455 0.75 MYC (0.47) L3MBTL1

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
EP-0819765-A2 Reagent for measuring an amount of cholesterol WAKO PURE CHEMICAL INDUSTRIES, LTD (JP) 1998-01-21 EP disclosed