SCHEMBL21764405

SCHEMBL21764405

CC1(C)OB(c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2ccccc2-c2ccccc2O3)OC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 13/20 0.47
LIPG Q9Y5X9 13/20 0.47
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
P4HB P07237 1/20 0.36
ROCK1 Q13464 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CA12 O43570 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 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
SCHEMBL23504623 0.94 LPL (0.47) LPLLIPGPRMT5WDR77P4HB
SCHEMBL31062339 0.84 KDM4E (0.51) LPLLIPGPRMT5WDR77KDM4E
SCHEMBL25908152 0.84 KDM4E (0.51) LPLLIPGPRMT5WDR77KDM4E
SCHEMBL47074 0.83 LPL (0.53) LPLLIPGP4HBROCK1CA1
SCHEMBL16581306 0.83 LPL (0.56) LPLLIPGPRMT5WDR77P4HB
SCHEMBL17072840 0.81 LPL (0.47) LPLLIPGPRMT5WDR77P4HB
SCHEMBL19530897 0.80 LPL (0.41) LPLLIPGPRMT5WDR77P4HB
SCHEMBL34467622 0.80 LPL (0.41) LPLLIPGPRMT5WDR77P4HB
SCHEMBL20222384 0.80 LPL (0.41) LPLLIPGPRMT5WDR77P4HB
SCHEMBL25908302 0.80 KDM4E (0.53) LPLLIPGPRMT5WDR77P4HB

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
EP-3227269-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-02-26 EP disclosed