SCHEMBL5574258

SCHEMBL5574258

OCCOCCOc1cccc2c(OCCOCCBr)cccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 4/20 0.49
MEN1 O00255 4/20 0.49
IDO1 P14902 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 2/20 0.45
NCF1 P14598 6/20 0.42
HTR1B P28222 2/20 0.42
HTR1D P28221 1/20 0.42
CYBB P04839 1/20 0.42
NOX5 Q96PH1 1/20 0.42
PTK2B Q14289 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL5574264 0.91 KMT2A (0.55) KMT2AALDH1A1KDM4EMEN1IDO1
SCHEMBL14537076 0.90 IDO1 (0.58) KMT2AALDH1A1KDM4EMEN1IDO1
SCHEMBL16305605 0.83 IDO1 (0.65) KMT2AALDH1A1KDM4EMEN1IDO1
SCHEMBL14511338 0.83 ALDH1A1 (0.52) KMT2AALDH1A1KDM4EMEN1IDO1
SCHEMBL14511345 0.83 KDM4E (0.56) KMT2AALDH1A1KDM4EMEN1IDO1
SCHEMBL16021983 0.81 KDM4E (0.69) KMT2AALDH1A1KDM4EMEN1HTR1B
SCHEMBL8091013 0.81 KDM4E (0.69) KMT2AALDH1A1KDM4EMEN1HTR1B
SCHEMBL16021969 0.81 KDM4E (0.69) KMT2AALDH1A1KDM4EMEN1HTR1B
SCHEMBL16021963 0.81 KDM4E (0.69) KMT2AALDH1A1KDM4EMEN1HTR1B
SCHEMBL16021973 0.81 KDM4E (0.69) KMT2AALDH1A1KDM4EMEN1HTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070117964-A1 Noncovalent functionalization of nanotubes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-05-24 US disclosed
US-7220818-B2 Noncovalent functionalization of nanotubes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-05-22 US disclosed
US-7220818-B2 Noncovalent functionalization of nanotubes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-05-22 US disclosed
US-20050043503-A1 With poly{(5-alkoxy-m-phenylenevinylene)-co-[(2,5-dioctyloxy-p-phenylene)vinylene]} or other derivatives; high strength, increased solubility, electroconductivity with maintained photoluminescence and electroluminescence THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2005-02-24 US disclosed