SCHEMBL14548939

SCHEMBL14548939

CCOC(=O)CC1(CNC(=O)OCCSSCCOC(=O)NCCN(C)C)CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
ACHE P22303 7/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
ALDH1A1 P00352 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 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
SCHEMBL13772646 0.92 MGAM (0.33) MAPTACHEL3MBTL1MEN1KMT2A
SCHEMBL2544830 0.87 ACHE (0.31) ACHE
SCHEMBL12956510 0.87 ALDH1A1 (0.36) ALDH1A1KMT2A
SCHEMBL2554064 0.87 ALDH1A1 (0.30) ALDH1A1
SCHEMBL14548933 0.86
SCHEMBL14641834 0.86 ALOX15 (0.32)
SCHEMBL14548936 0.83 HDAC3 (0.35) MAPTCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL14548945 0.83 HDAC3 (0.38)
SCHEMBL14548860 0.83
SCHEMBL14548937 0.81

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8357723-B2 Prodrugs containing novel bio-cleavable linkers Piramal Enterprises Limited and Apparao Satyam (IN) 2013-01-22 US disclosed
US-8354455-B2 Prodrugs containing novel bio-cleavable linkers Piramal Enterprises Limited and Apparao Satyam (IN) 2013-01-15 US disclosed
US-8349901-B2 Prodrugs containing novel bio-cleavable linkers Piramal Enterprises Limited and Apparao Satyam (IN) 2013-01-08 US disclosed