SCHEMBL5474386

SCHEMBL5474386

CC(C)OS(=O)(=O)CCCSC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
HTR2A P28223 1/20 0.30
HTR7 P34969 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL30350824 0.79 ALDH1A1 (0.46) ALDH1A1
SCHEMBL14836923 0.79 ALDH1A1 (0.46) ALDH1A1
SCHEMBL14778878 0.73 ALDH1A1 (0.50) ALDH1A1
SCHEMBL17922766 0.73 ALDH1A1 (0.40) ALDH1A1POLBHPGDSMN1; SMN2NPSR1
SCHEMBL4310838 0.71 APP (0.41) ALDH1A1SMN1; SMN2HTR1ADRD2HTR2A
SCHEMBL4304897 0.71 ALDH1A1 (0.35) ALDH1A1POLBHPGDCTDSP1SMN1; SMN2
SCHEMBL9851894 0.68 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2
SCHEMBL8710846 0.68 ALDH1A1 (0.43) ALDH1A1
SCHEMBL25495236 0.67 HTR1A (0.34) ALDH1A1SMN1; SMN2HTR1ADRD2HTR2A
SCHEMBL18175362 0.66 ALDH1A1 (0.42) ALDH1A1

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
US-7193027-B2 Functionalized silicone resins, methods for their preparation, and use as catalysts GENERAL ELECTRIC COMPANY (US) 2007-03-20 US disclosed
US-20050033002-A1 Functionalized silicone resins, methods for their preparation, and use as catalysts SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2005-02-10 US disclosed