SCHEMBL14725404

SCHEMBL14725404

COc1ccc(C2=CC(=O)COc3c2cc(OC)c(OC)c3OC)cc1OC(=O)C(CC(C)C)NC(=O)C(O)C(C)Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 6/20 0.36
BIRC2 Q13490 1/20 0.34
PSMB2 P49721 4/20 0.34
PSMB8 P28062 3/20 0.34
PSMB9 P28065 3/20 0.34
PSMB10 P40306 3/20 0.34
PSMB1 P20618 3/20 0.34
PSMB11 A5LHX3 2/20 0.34
PSMA7 O14818 2/20 0.34
PSMA1 P25786 2/20 0.34
PSMA2 P25787 2/20 0.34
PSMA3 P25788 2/20 0.34
PSMA4 P25789 2/20 0.34
PSMA5 P28066 2/20 0.34
PSMB4 P28070 2/20 0.34
PSMB6 P28072 2/20 0.34
PSMB3 P49720 2/20 0.34
PSMA6 P60900 2/20 0.34
PSMA8 Q8TAA3 2/20 0.34
PSMB7 Q99436 2/20 0.34

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
SCHEMBL14721273 0.93 METAP2 (0.40) PSMB5AAK1IL1RNERAP2ERAP1
SCHEMBL14721499 0.89 PSEN1 (0.40) REN
SCHEMBL14725252 0.88 METAP2 (0.38) PSMB5BIRC2IL1RNERAP2ERAP1
Carbamic Acid SCHEMBL14722093 0.82 SRC (0.39) CTSKRENCTSLCTSSAAK1
SCHEMBL14725258 0.82 METAP2 (0.40) PSMB5AAK1IL1RNERAP2ERAP1
SCHEMBL14721711 0.79 GSK3B (0.36) AAK1ALDH1A1
SCHEMBL14725494 0.78 PSEN1 (0.42) REN
SCHEMBL14722096 0.77 SRC (0.37) RENAAK1ALDH1A1
SCHEMBL14722027 0.73 TSHR (0.43) CTSKRENCTSLCTSSAAK1
SCHEMBL14725254 0.72 METAP2 (0.42) PSMB5AAK1ALDH1A1ALOX15IL1RN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013026942-A1 TUBULIN BINDING AGENTS THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2013-02-28 WO disclosed