SCHEMBL3443189

SCHEMBL3443189

CCC(CC)CCCOc1ccccc1-c1cc(B(O)O)cc(-c2ccccc2OCCCC(CC)CC)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.39
PKM P14618 1/20 0.39
ADRB2 P07550 2/20 0.38
ALDH1A1 P00352 5/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTR7 P34969 1/20 0.37
LMNA P02545 2/20 0.36
PTPRC P08575 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 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
SCHEMBL3443192 0.77 CYP3A4 (0.39) MEN1KMT2ATDP1
SCHEMBL7913285 0.74 CYP1A2 (0.44) KDM4EPKMADRB2MEN1KMT2A
SCHEMBL11332383 0.73 KDM4E (0.52) KDM4EPKMADRB2ALDH1A1MEN1
SCHEMBL9228166 0.70 ADRB2 (0.55) KDM4EPKMADRB2ALDH1A1MEN1
SCHEMBL5160375 0.67 ALDH1A1 (0.59) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL10526915 0.67 ADRB2 (0.54) KDM4EPKMADRB2ALDH1A1MEN1
SCHEMBL8780384 0.65 HTR7 (0.58) KDM4EPKMADRB2ALDH1A1MEN1
SCHEMBL28460740 0.65 FYN (0.43) KDM4EADRB2ALDH1A1HTR7TP53
SCHEMBL9219161 0.65 SYK (0.49) KDM4EPKMADRB2ALDH1A1MEN1
SCHEMBL14038817 0.64 CYP1A2 (0.50) KDM4EADRB2ALDH1A1MEN1KMT2A

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-1973983-B1 BRANCHED COMPOUNDS AND THEIR USE IN SENSORS ISIS INNOVATION (GB) 2016-03-30 EP disclosed
US-7812323-B2 Branched compounds and their use in sensors ISIS INNOVATION LIMITED (GB) 2010-10-12 US disclosed
US-20090314957-A1 Branched Compounds And Their Use in Sensors OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-12-24 US disclosed
EP-1973983-A1 BRANCHED COMPOUNDS AND THEIR USE IN SENSORS ISIS INNOVATION LIMITED (GB) 2008-10-01 EP disclosed
WO-2007077456-A1 BRANCHED COMPOUNDS AND THEIR USE IN SENSORS ISIS INNOVATION LIMITED (GB) 2007-07-12 WO disclosed