SCHEMBL5587038

SCHEMBL5587038

COc1cc(N)c(CCCCS(=O)(=O)O)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 2/20 0.36
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
KMT2A Q03164 1/20 0.35
ERN1 O75460 1/20 0.35
CYP1A2 P05177 2/20 0.34
PTPN1 P18031 1/20 0.34
SLC2A1 P11166 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL15199254 0.81 ALDH1A1 (0.40) ALDH1A1CYP3A4MEN1MAPTTHRB
SCHEMBL10568730 0.75 LMNA (0.38) ALDH1A1CYP3A4MEN1MAPTKMT2A
SCHEMBL6742162 0.74 ALDH1A1 (0.41) ALDH1A1MEN1MAPTKMT2ASLC2A1
SCHEMBL22660919 0.72 ALDH1A1 (0.49) ALDH1A1CYP3A4MEN1MAPTTHRB
SCHEMBL22660931 0.72 ALDH1A1 (0.49) ALDH1A1CYP3A4MEN1MAPTTHRB
SCHEMBL22660946 0.72 ALDH1A1 (0.49) ALDH1A1CYP3A4MAPTTHRBKDM4E
SCHEMBL29495105 0.72 ALDH1A1 (0.49) ALDH1A1CYP3A4MEN1MAPTTHRB
SCHEMBL5586996 0.72 KDM4E (0.43) ALDH1A1MAPTKDM4E
SCHEMBL28677330 0.71 ALDH1A1 (0.47) ALDH1A1CYP3A4MAPTTHRBKDM4E
SCHEMBL11245175 0.71 HTR4 (0.40) HTR4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1203959-B1 ANALYZING CARTRIDGE AND LIQUID FEED CONTROL DEVICE ASAHI CHEMICAL IND (JP) 2007-06-13 EP disclosed
EP-1203959-A1 ANALYZING CARTRIDGE AND LIQUID FEED CONTROL DEVICE Asahi Kasei Kabushiki Kaisha (JP) 2002-05-08 EP disclosed