SCHEMBL14725433

SCHEMBL14725433

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GPR142 Q7Z601 1/20 0.36
PSMB5 P28074 4/20 0.36
PSMB11 A5LHX3 2/20 0.36
PSMA7 O14818 2/20 0.36
PSMB1 P20618 2/20 0.36
PSMA1 P25786 2/20 0.36
PSMA2 P25787 2/20 0.36
PSMA3 P25788 2/20 0.36
PSMA4 P25789 2/20 0.36
PSMB8 P28062 2/20 0.36
PSMB9 P28065 2/20 0.36
PSMA5 P28066 2/20 0.36
PSMB4 P28070 2/20 0.36

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
SCHEMBL14725528 0.92 REN (0.40) REN
SCHEMBL14725254 0.91 METAP2 (0.42) TSHRALDH1A1ALOX15AAK1MAPT
SCHEMBL14725272 0.91 METAP2 (0.41) TSHRALDH1A1ALOX15AAK1MAPT
SCHEMBL14725494 0.83 PSEN1 (0.42) REN
SCHEMBL14725258 0.82 METAP2 (0.40) AAK1PSMB5ANPEP
SCHEMBL14725517 0.81 AAK1 (0.44) TSHRALDH1A1AAK1MAPTNPSR1
SCHEMBL14721685 0.79 AAK1 (0.43) TSHRAAK1
SCHEMBL14725450 0.79 AAK1 (0.43) TSHRAAK1
SCHEMBL14721210 0.76 KDM4E (0.37) TSHRALDH1A1MAPTPOLBMEN1
SCHEMBL14725256 0.74 METAP2 (0.39) AAK1PSMB5ANPEP

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