SCHEMBL3339595

SCHEMBL3339595

CCCCCCOc1cc(B(O)O)c(OCCCCCC)cc1I

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
S1PR3 Q99500 1/20 0.42
ESR1 P03372 1/20 0.41
PTPN11 Q06124 4/20 0.39
MEN1 O00255 1/20 0.38
NR1I2 O75469 1/20 0.38
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADRA2A P08913 1/20 0.38
MAPT P10636 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR2B P41595 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CHUK O15111 1/20 0.38
DAPK3 O43293 1/20 0.38
JAK2 O60674 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
SCHEMBL3594529 0.90 S1PR3 (0.44) S1PR3ESR1PTPN11MEN1NR1I2
SCHEMBL3533988 0.90 S1PR3 (0.44) S1PR3ESR1PTPN11MEN1NR1I2
SCHEMBL766731 0.86 THRA (0.49) THRATHRBS1PR3ESR1PTPN11
SCHEMBL1778304 0.86 THRA (0.49) THRATHRBS1PR3ESR1PTPN11
SCHEMBL1899569 0.86 THRA (0.49) THRATHRBS1PR3ESR1PTPN11
SCHEMBL1776059 0.86 THRA (0.49) THRATHRBS1PR3ESR1PTPN11
SCHEMBL2831022 0.86 THRA (0.49) THRATHRBS1PR3ESR1PTPN11
SCHEMBL13400876 0.86 THRA (0.49) THRATHRBS1PR3ESR1PTPN11
SCHEMBL8864204 0.84 THRA (0.44) THRATHRBS1PR3PTPN11MEN1
SCHEMBL15135019 0.80 ESR1 (0.46) THRATHRBS1PR3ESR1PTPN11

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-8349997-B2 Method for production of block copolymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-01-08 US disclosed
US-20100099823-A1 METHOD FOR PRODUCTION OF BLOCK COPOLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-22 US disclosed
EP-2112186-A1 METHOD FOR PRODUCTION OF BLOCK COPOLYMER Sumitomo Chemical Company, Limited (JP) 2009-10-28 EP disclosed