SCHEMBL13253167

SCHEMBL13253167

CCOC(=O)C(NC(=O)CNC(=O)OC(C)(C)C)C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TSHR P16473 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45
GAA P10253 2/20 0.40
CTSK P43235 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CTSS P25774 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
SYK P43405 1/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
MAOA P21397 1/20 0.37

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
SCHEMBL17987547 0.98 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ATSHRCYP1A2
SCHEMBL2409624 0.93 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ATSHRCYP1A2
SCHEMBL20754108 0.91 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ATSHRCYP1A2
SCHEMBL20744227 0.91 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ATSHRCYP1A2
SCHEMBL20743827 0.90 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ATSHRCYP1A2
SCHEMBL20744977 0.89 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ATSHRCYP1A2
SCHEMBL20744621 0.89 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ATSHRCYP1A2
SCHEMBL22831607 0.89 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ATSHRCYP1A2
SCHEMBL20746585 0.88 MEN1 (0.39) ALDH1A1MEN1KMT2ATSHRCYP1A2
SCHEMBL28392834 0.88 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ATSHRCYP1A2

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-7754684-B2 Macromolecular platinum chelates ACCESS PHARMACEUTICALS, INC. (US) 2010-07-13 US disclosed
US-7754684-B2 Macromolecular platinum chelates ACCESS PHARMACEUTICALS, INC. (US) 2010-07-13 US disclosed