SCHEMBL3594529

SCHEMBL3594529

CCCCCCCCCCCCOc1cc(B(O)O)c(OCCCCCCCCCCCC)cc1B(O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.44
NR5A1 Q13285 1/20 0.44
MEN1 O00255 1/20 0.44
NR1I2 O75469 1/20 0.44
LMNA P02545 1/20 0.44
CHRM2 P08172 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADRA2A P08913 1/20 0.44
MAPT P10636 1/20 0.44
OPRK1 P41145 1/20 0.44
HTR2B P41595 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
PLA2G2A P14555 1/20 0.43
LIPG Q9Y5X9 1/20 0.43
CHUK O15111 1/20 0.43
DAPK3 O43293 1/20 0.43
JAK2 O60674 1/20 0.43
ROCK2 O75116 1/20 0.43

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
SCHEMBL3533988 1.00 S1PR3 (0.44) S1PR3NR5A1MEN1NR1I2LMNA
SCHEMBL3339595 0.90 THRA (0.44) S1PR3NR5A1MEN1NR1I2LMNA
SCHEMBL8864204 0.90 THRA (0.44) S1PR3NR5A1MEN1NR1I2LMNA
SCHEMBL3534197 0.86 MEN1 (0.39) S1PR3NR5A1MEN1NR1I2LMNA
SCHEMBL29957059 0.83 GAA (0.49) S1PR3NR5A1MEN1MAPTKMT2A
SCHEMBL29955818 0.83 GAA (0.49) S1PR3NR5A1MEN1MAPTKMT2A
SCHEMBL20681281 0.83 NR5A1 (0.53) NR5A1LMNAMAPTPTPN11
SCHEMBL29957474 0.83 GAA (0.49) S1PR3NR5A1MEN1MAPTKMT2A
SCHEMBL3426196 0.82 THRA (0.40) MEN1LMNAMAPTKMT2AALDH1A1
SCHEMBL29956366 0.81 S1PR3 (0.44) S1PR3MEN1NR1I2LMNACHRM2

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
US-7811675-B2 Electroluminescent metallo-supramolecules with terpyridine-based groups THE UNIVERSITY OF HONG KONG (CN) 2010-10-12 US disclosed
EP-1558669-A4 ELECTROLUMINESCENT METALLO-SUPRAMOLECULES WITH TERPYRIDINE-BASED GROUPS UNIV HONG KONG (CN) 2007-06-06 EP disclosed
EP-1558669-A1 ELECTROLUMINESCENT METALLO-SUPRAMOLECULES WITH TERPYRIDINE-BASED GROUPS The University of Hong Kong (CN) 2005-08-03 EP disclosed
WO-2004041913-A1 ELECTROLUMINESCENT METALLO-SUPRAMOLECULES WITH TERPYRIDINE-BASED GROUPS THE UNIVERSITY OF HONG KONG (CN) 2004-05-21 WO disclosed
US-20040086744-A1 Electroluminescent metallo-supramolecules with terpyridine-based groups VERSITECH LIMITED (CN) 2004-05-06 US disclosed