SCHEMBL5502936

SCHEMBL5502936

CCCCC(CC)CC1(CC(CC)CCCC)c2cc(-c3ccc4c(c3)C(CCC)(CCC)c3cc(-c5ccc6c(c5)C(CCC)(CCC)c5ccccc5-6)ccc3-4)ccc2-c2ccc(-c3ccc4c(c3)C(CCC)(CCC)c3cc(-c5ccc6c(c5)C(CC(CC)CCCC)(CC(CC)CCCC)c5cc(-c7ccc8c(c7)C(CCC)(CCC)c7cc(-c9ccc%10c(c9)C(CCC)(CCC)c9ccccc9-%10)ccc7-8)ccc5-6)ccc3-4)cc21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.33
CA2 P00918 1/20 0.33
CYP3A4 P08684 1/20 0.33
PDK2 Q15119 11/20 0.32
KDM4E B2RXH2 1/20 0.32
APEX1 P27695 1/20 0.32
PGR P06401 2/20 0.32
LMNA P02545 1/20 0.30

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
SCHEMBL5501660 0.93 MEN1 (0.34) MEN1MAPTKMT2AL3MBTL1
SCHEMBL5503898 0.92 MEN1 (0.35) MEN1MAPTKMT2AL3MBTL1PDK2
SCHEMBL6353229 0.86 MMP12 (0.38) MEN1MAPTKMT2AL3MBTL1ALDH1A1
SCHEMBL3721035 0.85 L3MBTL1 (0.46) MEN1MAPTKMT2AL3MBTL1ALDH1A1
SCHEMBL29377775 0.85 L3MBTL1 (0.46) MEN1MAPTKMT2AL3MBTL1ALDH1A1
SCHEMBL9781137 0.83 APEX1 (0.43) PDK2APEX1PGR
SCHEMBL9898232 0.82 MEN1 (0.39) MEN1MAPTKMT2AL3MBTL1ALDH1A1
SCHEMBL4363141 0.82 APEX1 (0.35) PDK2APEX1PGR
SCHEMBL5663195 0.81 APEX1 (0.40) PDK2APEX1PGR
SCHEMBL5664720 0.81 APEX1 (0.40) PDK2APEX1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425168-A4 LIGHT-EMITTING ORGANIC OLIGOMER COMPOSITIONS UNIV ROCHESTER (US) 2007-01-03 EP disclosed
US-7057009-B2 Crosslinking polyfluorene; molecular orientation UNIVERSITY OF ROCHESTER (US) 2006-06-06 US disclosed
EP-1425168-A2 LIGHT-EMITTING ORGANIC OLIGOMER COMPOSITIONS University of Rochester (US) 2004-06-09 EP disclosed
US-20030039838-A1 Light-emitting organic oligomer compositions UNIVERSITY OF ROCHESTER 2003-02-27 US disclosed
WO-2003008475-A2 LIGHT-EMITTING ORGANIC OLIGOMER COMPOSITIONS UNIVERSITY OF ROCHESTER (US) 2003-01-30 WO disclosed