SCHEMBL14548935

SCHEMBL14548935

CCOC(=O)CC1(CNC(=O)OCCSSCCOC(=O)NC(CCC(=O)OC)C(=O)OC)CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.36
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 3/20 0.31
HDAC2 Q92769 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPK1 P28482 1/20 0.30
CTSK P43235 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
SCHEMBL14548934 0.90
SCHEMBL13772646 0.86 MGAM (0.33) L3MBTL1KMT2AKDM4E
SCHEMBL14548933 0.85
SCHEMBL2554064 0.82 ALDH1A1 (0.30) ALDH1A1HSD17B10
SCHEMBL12956510 0.82 ALDH1A1 (0.36) KMT2AALDH1A1HPGDMAPK1
SCHEMBL2544830 0.82 ACHE (0.31)
SCHEMBL14548945 0.82 HDAC3 (0.38) HDAC2
SCHEMBL12106754 0.81 ALDH1A1 (0.33) ALDH1A1
SCHEMBL14641834 0.81 ALOX15 (0.32)
SCHEMBL14548939 0.79 MAPT (0.36) L3MBTL1KMT2AALDH1A1

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