SCHEMBL7974655

SCHEMBL7974655

CCOC(=O)C(CCCCCCCCO[Si](C)(C)C(C)(C)C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AMPD2 Q01433 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
MMP8 P22894 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL28066882 0.79 MMP8 (0.48) AMPD2TDP1MMP8GAASMN1; SMN2
SCHEMBL8818975 0.79 MMP8 (0.48) AMPD2TDP1MMP8GAASMN1; SMN2
SCHEMBL4886826 0.79 MMP8 (0.48) AMPD2TDP1MMP8GAASMN1; SMN2
SCHEMBL24810046 0.79 KMT2A (0.44) L3MBTL1MEN1LMNAKMT2A
SCHEMBL9825039 0.78 TDP1 (0.47) AMPD2TDP1MMP8L3MBTL1GAA
SCHEMBL1969671 0.78 TARBP2 (0.36) TDP1GAASMN1; SMN2MEN1LMNA
SCHEMBL15124223 0.78 MMP8 (0.47) AMPD2TDP1MMP8GAASMN1; SMN2
SCHEMBL21357881 0.78 MMP8 (0.47) AMPD2TDP1MMP8GAASMN1; SMN2
SCHEMBL11321868 0.78 MMP8 (0.47) AMPD2TDP1MMP8GAASMN1; SMN2
SCHEMBL9000765 0.78 MMP8 (0.49) AMPD2TDP1MMP8GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6326369-B1 ALZHEIMER'S DISEASE TAKEDA CHEMICALS INDUSTRIES, LTD. (JP) 2001-12-04 US disclosed
EP-0968164-A1 BICYCLIC QUINONE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2000-01-05 EP disclosed
WO-1998033758-A1 BICYCLIC QUINONE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-08-06 WO disclosed