SCHEMBL7974460

SCHEMBL7974460

CCOC(=O)C(CCCCOc1ccc(C(=O)OC)cc1)C(=O)OCC

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
MAPT P10636 5/20 0.63
CRHBP P24387 1/20 0.63
CRHR2 Q13324 1/20 0.63
TDP1 Q9NUW8 7/20 0.62
L3MBTL1 Q9Y468 8/20 0.62
MAPK1 P28482 3/20 0.60
TSHR P16473 2/20 0.55
ALDH1A1 P00352 2/20 0.55
RAB9A P51151 1/20 0.55
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL7973009 0.87 MEN1 (0.76) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL7432275 0.84 MEN1 (0.91) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL11550154 0.84 MAPT (0.60) MEN1KMT2AMAPTTDP1L3MBTL1
SCHEMBL11550791 0.84 MAPT (0.60) MEN1KMT2AMAPTTDP1L3MBTL1
SCHEMBL14097352 0.82 MEN1 (0.71) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL7429207 0.81 TDP1 (0.91) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL11553628 0.81 L3MBTL1 (0.55) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL5054312 0.81 MAPT (0.85) MEN1KMT2AMAPTTDP1L3MBTL1
SCHEMBL5883644 0.81 MEN1 (0.69) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL7437760 0.81 MEN1 (0.69) MEN1KMT2AMAPTCRHBPCRHR2

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