SCHEMBL14725387

SCHEMBL14725387

COc1ccc(C2=CC(O)CCc3c2cc(OC)c(OC)c3OC)cc1NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
CHRM3 P20309 14/20 0.35
FABP5 Q01469 1/20 0.35
KMT2A Q03164 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
SCHEMBL14725501 0.87 EPHX2 (0.35) EPHX2CHRM3FABP5KMT2A
SCHEMBL14722316 0.82 MEN1 (0.35) KMT2A
SCHEMBL14725525 0.81 BTK (0.37)
SCHEMBL14721663 0.73 MAPK10 (0.38)
SCHEMBL14725335 0.73 TUBB4A (0.44)
SCHEMBL31173117 0.72 EPHX2 (0.52) EPHX2CHRM3FABP5KMT2A
SCHEMBL14725373 0.72 TUBB4A (0.43)
SCHEMBL7927995 0.71 LTB4R (0.52) EPHX2FABP5KMT2A
SCHEMBL14725383 0.71 TUBB4A (0.43) KMT2A
SCHEMBL2649418 0.71 EPHX2 (0.50) EPHX2FABP5KMT2A

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