SCHEMBL983043

SCHEMBL983043

CCCCCOC/C=C(/C)Cl

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.47
CES2 O00748 2/20 0.45
HTT P42858 3/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
CES1 P23141 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PLA2G2C Q5R387 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
SCHEMBL26941542 0.87 LSS (0.44) LSSCES2HTTMEN1THRB
SCHEMBL1150489 0.84 LSS (0.49) LSSCES2HTTMEN1THRB
SCHEMBL13380892 0.84
SCHEMBL9396040 0.83 LSS (0.51) LSSCES2HTTMEN1THRB
SCHEMBL28264229 0.83 LSS (0.51) LSSCES2HTTMEN1THRB
SCHEMBL29048956 0.83 LSS (0.51) LSSCES2HTTMEN1THRB
Pentane SCHEMBL28776059 0.83 LSS (0.47) LSSCES2HTTMEN1THRB
SCHEMBL5132941 0.82 LSS (0.51) LSSCES2HTTMEN1THRB
SCHEMBL5132943 0.82 LSS (0.51) LSSCES2HTTMEN1THRB
SCHEMBL6751726 0.81 LSS (0.46) LSSCES2HTTMEN1THRB

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-2451461-A1 NOVEL NUCLEIC ACID PRODRUGS AND METHODS OF USE THEREOF Ontorii, Inc (US) 2012-05-16 EP disclosed
WO-2011005761-A1 NOVEL NUCLEIC ACID PRODRUGS AND METHODS USE THEREOF ONTORII, INC (US) 2011-01-13 WO disclosed