SCHEMBL17613670

SCHEMBL17613670

CCOC(CO)OCCSC(=O)c1ccc(N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.42
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 3/20 0.42
MAOA P21397 2/20 0.42
TSHR P16473 4/20 0.39
CYP2D6 P10635 2/20 0.39
HTR3A P46098 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
PDE4D Q08499 1/20 0.38
BLM P54132 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
SCN1A P35498 2/20 0.36
SCN2A Q99250 2/20 0.36
SCN3A Q9NY46 2/20 0.36

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
SCHEMBL13425280 0.80 TSHR (0.35) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL17613687 0.73
SCHEMBL17613770 0.73 LMNA (0.40) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL17613703 0.72 APP (0.43) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL17613658 0.72
SCHEMBL17613591 0.71
SCHEMBL17613668 0.71 CYP1A2 (0.32) CYP1A2KMT2A
SCHEMBL17613653 0.71 CA12 (0.30)
SCHEMBL17613740 0.70
SCHEMBL17613700 0.70

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-2346883-B1 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE PETERSEN SCOTT G (US) 2016-03-23 EP disclosed