SCHEMBL21436795

SCHEMBL21436795

CC(CCc1ccccc1)[S+]([O-])NC[C@@H]1CCC=CO1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
GRIN2B Q13224 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
TSHR P16473 1/20 0.32
ACE P12821 1/20 0.31
KMT2A Q03164 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL20773853 0.69 SLC6A2 (0.32) KMT2AMEN1
SCHEMBL20773854 0.69 SLC6A2 (0.32) KMT2AMEN1
SCHEMBL20773807 0.67
SCHEMBL20773949 0.67
SCHEMBL20773805 0.67
SCHEMBL20776387 0.67
SCHEMBL21454696 0.67
SCHEMBL24805274 0.64 KDM4E (0.31)
SCHEMBL24804545 0.64 KDM4E (0.31)
SCHEMBL21454411 0.64 KDM4E (0.31)

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
WO-2019194858-A1 MODULAR SYNTHESIS OF AMINOGLYCOSIDES ACHAOGEN, INC. (US) 2019-10-10 WO disclosed