SCHEMBL14725258

SCHEMBL14725258

COc1ccc(C2=CC(=O)CCc3c2cc(OC)c(OC)c3OC)cc1OC(=O)C(CC(C)C)NC(=O)C(O)C(N)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.40
IL1RN P18510 11/20 0.39
ERAP2 Q6P179 11/20 0.39
ERAP1 Q9NZ08 9/20 0.39
LAP3 P28838 2/20 0.36
ANPEP P15144 1/20 0.36
RNPEP Q9H4A4 1/20 0.36
DNPEP Q9ULA0 1/20 0.36
PSMB5 P28074 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
CTSD P07339 1/20 0.35

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
SCHEMBL14725254 0.90 METAP2 (0.42) METAP2IL1RNERAP2ERAP1LAP3
SCHEMBL14725272 0.90 METAP2 (0.41) METAP2IL1RNERAP2ERAP1LAP3
SCHEMBL14721273 0.89 METAP2 (0.40) METAP2IL1RNERAP2ERAP1PSMB5
SCHEMBL14725494 0.88 PSEN1 (0.42)
SCHEMBL14725252 0.84 METAP2 (0.38) METAP2IL1RNERAP2ERAP1PSMB5
SCHEMBL14725256 0.82 METAP2 (0.39) METAP2IL1RNERAP2ERAP1LAP3
SCHEMBL14725433 0.82 TSHR (0.38) ANPEPPSMB5AAK1
SCHEMBL14725404 0.82 PSMB5 (0.36) IL1RNERAP2ERAP1PSMB5AAK1
SCHEMBL14725250 0.81 METAP2 (0.39) METAP2IL1RNERAP2ERAP1LAP3
SCHEMBL14725395 0.81 METAP2 (0.39) METAP2IL1RNERAP2ERAP1LAP3

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