SCHEMBL27548165

SCHEMBL27548165

CCN1CCN(CCO)CC1.O=[SH](=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 3/20 0.43
KMT2A Q03164 3/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
PKM P14618 1/20 0.37
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD11B1 P28845 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL22996224 0.89 ALDH1A1 (0.52) ALDH1A1KDM4EKMT2ALMNAHTT
SCHEMBL22996243 0.89 ALDH1A1 (0.52) ALDH1A1KDM4EKMT2ALMNAHTT
SCHEMBL323447 0.89 ALDH1A1 (0.52) ALDH1A1KDM4EKMT2ALMNAHTT
SCHEMBL22996249 0.89 ALDH1A1 (0.52) ALDH1A1KDM4EKMT2ALMNAHTT
SCHEMBL27195608 0.86 SMN1; SMN2 (0.43) ALDH1A1KDM4EKMT2AMEN1HSD11B1
SCHEMBL28156287 0.84 SMN1; SMN2 (0.41) ALDH1A1KDM4EKMT2AMEN1HSD11B1
Sulfuric Acid SCHEMBL9359044 0.83 ALDH1A1 (0.44) ALDH1A1KDM4EKMT2ALMNAHTT
SCHEMBL21076323 0.82 ALDH1A1 (0.46) ALDH1A1KDM4EKMT2ALMNAHTT
SCHEMBL21076300 0.82 ALDH1A1 (0.46) ALDH1A1KDM4EKMT2ALMNAHTT
SCHEMBL21076357 0.82 ALDH1A1 (0.46) ALDH1A1KDM4EKMT2ALMNAHTT

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
CN-1307190-C Crystals of glucopyranosyloxybenzylbenzene derivative KISSEI PHARMACEUTICAL (JP) 2007-03-28 CN disclosed
CN-1642965-A Crystals of glucopyranosyloxybenzyl benzene derivative KISSEI PHARMACEUTICAL (JP) 2005-07-20 CN disclosed