SCHEMBL11535689

SCHEMBL11535689

COc1ccc(C(=O)C(O[Si](C)(C)C)c2ccc(OC)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
POLB P06746 2/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
NPSR1 Q6W5P4 1/20 0.51
ALDH1A1 P00352 3/20 0.49
CYP1A2 P05177 1/20 0.47
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
PARP1 P09874 1/20 0.44
PARP10 Q53GL7 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
PARP4 Q9UKK3 1/20 0.44
PLK1 P53350 1/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL2529180 0.92 NPC1 (0.62) MAPTPOLBNPC1RAB9AMEN1
SCHEMBL11543333 0.83 NPSR1 (0.47) MAPTPOLBNPC1RAB9AMEN1
SCHEMBL31359577 0.79 MAPT (0.64) MAPTPOLBNPC1RAB9AMEN1
SCHEMBL6870170 0.78 ALDH1A1 (0.62) MAPTPOLBNPC1RAB9AMEN1
SCHEMBL6780371 0.78 NPC1 (0.59) MAPTPOLBNPC1RAB9AMEN1
SCHEMBL13204575 0.77 POLB (0.55) MAPTPOLBNPC1RAB9AMEN1
SCHEMBL9128620 0.77 MAPT (0.55) MAPTPOLBNPC1RAB9AMEN1
SCHEMBL11535688 0.76 ALDH1A1 (0.46) MAPTPOLBNPC1RAB9AMEN1
SCHEMBL5215589 0.75 CES2 (0.57) MAPTPOLBNPC1RAB9AMEN1
SCHEMBL1791860 0.75 MAPT (0.73) MAPTPOLBNPC1RAB9AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4141806-A MULTISTAGE, TEMPERATURE BAYER AKTIENGESELLSCHAFT (DE) 1979-02-27 US disclosed
US-4107012-A COATINGS, PRINTING INKS BAYER AKTIENGESELLSCHAFT (DE) 1978-08-15 US disclosed