SCHEMBL14548936

SCHEMBL14548936

CCCC(CCC)C(=O)NCCNC(=O)OCCSSCCOC(=O)NCC1(CC(=O)OCC)CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31

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
SCHEMBL12106446 0.91
SCHEMBL14548945 0.90 HDAC3 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13772646 0.86 MGAM (0.33) TSHRMEN1MAPTKMT2AL3MBTL1
SCHEMBL12106588 0.85
SCHEMBL14548939 0.83 MAPT (0.36) MEN1ALDH1A1MAPTKMT2AATM
SCHEMBL12956510 0.82 ALDH1A1 (0.36) TSHRALDH1A1KMT2A
SCHEMBL2544830 0.82 ACHE (0.31) ACHE
SCHEMBL2554064 0.82 ALDH1A1 (0.30) ALDH1A1
SCHEMBL14548937 0.82
SCHEMBL12106595 0.81 MEN1 (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2

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