SCHEMBL14725254

SCHEMBL14725254

COc1ccc(C2=CC(=O)CCc3c2cc(OC)c(OC)c3OC)cc1NC(=O)C(CC(C)C)NC(=O)C(O)C(N)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.42
AAK1 Q2M2I8 1/20 0.40
TSHR P16473 1/20 0.39
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
IL1RN P18510 4/20 0.37
ERAP2 Q6P179 4/20 0.37
ERAP1 Q9NZ08 3/20 0.37
MAPT P10636 2/20 0.37
LAP3 P28838 2/20 0.36
ANPEP P15144 2/20 0.36
RNPEP Q9H4A4 1/20 0.36
DNPEP Q9ULA0 1/20 0.36
GPR142 Q7Z601 1/20 0.36
PSMB5 P28074 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL14725272 0.99 METAP2 (0.41) METAP2AAK1TSHRPOLBNPSR1
SCHEMBL14725433 0.91 TSHR (0.38) AAK1TSHRPOLBNPSR1ALDH1A1
SCHEMBL14725258 0.90 METAP2 (0.40) METAP2AAK1IL1RNERAP2ERAP1
SCHEMBL14725528 0.87 REN (0.40)
SCHEMBL14725256 0.82 METAP2 (0.39) METAP2AAK1IL1RNERAP2ERAP1
SCHEMBL14725450 0.82 AAK1 (0.43) AAK1TSHR
SCHEMBL14721685 0.82 AAK1 (0.43) AAK1TSHR
SCHEMBL14725517 0.81 AAK1 (0.44) AAK1TSHRNPSR1ALDH1A1MAPT
SCHEMBL14725250 0.80 METAP2 (0.39) METAP2AAK1IL1RNERAP2ERAP1
SCHEMBL14721273 0.79 METAP2 (0.40) METAP2AAK1IL1RNERAP2ERAP1

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