SCHEMBL6757271

SCHEMBL6757271

CCCCCCCCCCCCCCCCCCOc1c(C(=O)O)cccc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 4/20 0.57
TSHR P16473 3/20 0.56
LMNA P02545 2/20 0.56
ALDH1A1 P00352 1/20 0.56
TP53 P04637 2/20 0.54
CYP3A4 P08684 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
NR1I2 O75469 1/20 0.54
CHRM2 P08172 1/20 0.54
ADRA2A P08913 1/20 0.54
MAPT P10636 1/20 0.54
OPRK1 P41145 1/20 0.54
HTR2B P41595 1/20 0.54
SLC6A3 Q01959 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
MAPK1 P28482 1/20 0.53
PLA2G4B P0C869 1/20 0.53
PLK1 P53350 1/20 0.52
PLA2G2A P14555 1/20 0.50

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
SCHEMBL32670803 1.00 PTPN11 (0.57) PTPN11TSHRLMNAALDH1A1TP53
SCHEMBL17980842 0.93 TSHR (0.53) PTPN11TSHRALDH1A1TP53CYP3A4
SCHEMBL8085142 0.91 LMNA (0.60) PTPN11TSHRLMNAALDH1A1CYP3A4
SCHEMBL8081832 0.91 LMNA (0.60) PTPN11TSHRLMNAALDH1A1CYP3A4
SCHEMBL8086789 0.91 LMNA (0.60) PTPN11TSHRLMNAALDH1A1CYP3A4
SCHEMBL9417688 0.91 LMNA (0.60) PTPN11TSHRLMNAALDH1A1CYP3A4
SCHEMBL342807 0.91 PTPN11 (0.52) PTPN11TSHRLMNAALDH1A1TP53
SCHEMBL8081846 0.91 LMNA (0.60) PTPN11TSHRLMNAALDH1A1CYP3A4
SCHEMBL11330301 0.91 PTPN11 (0.52) PTPN11TSHRLMNAALDH1A1TP53
SCHEMBL27676707 0.91 PTPN11 (0.56) PTPN11TSHRLMNAALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6713547-B2 REACTING SWELLABLE LAYERED CLAY WITH PHOSPHONIUM OR QUATERNARY AMMONIUM COMPOUND, MELT MIXING, THEN MELT EXTRUDING THE EXPANDED CLAY AND POLYAMIDE UNIVERSITY OF SOUTH CAROLINA RESEARCH FOUNDATION 2004-03-30 US disclosed
EP-1040081-B1 POLYMER NANOCOMPOSITES FOR HIGH GAS BARRIER APPLICATIONS UNIV SOUTH CAROLINA RES FOUND (US) 2003-07-30 EP disclosed
US-6486252-B1 Nanocomposites for high barrier applications EASTMAN CHEMICAL COMPANY 2002-11-26 US disclosed
US-20020169246-A1 Process for preparing high barrier nanocomposites EASTMAN CHEMICAL COMPANY 2002-11-14 US disclosed
WO-2000078855-A9 NANOCOMPOSITES FOR HIGH BARRIER APPLICATIONS EASTMAN CHEM CO (US) 2002-06-13 WO disclosed
WO-2000078855-A1 NANOCOMPOSITES FOR HIGH BARRIER APPLICATIONS EASTMAN CHEMICAL COMPANY (US) 2000-12-28 WO disclosed
EP-1040081-A1 POLYESTER NANOCOMPOSITES FOR HIGH BARRIER APPLICATIONS EASTMAN CHEMICAL COMPANY (US) 2000-10-04 EP disclosed
US-6034163-A ION EXCHANGED CLAY AND EXPANSION AGENT EASTMAN CHEMICAL COMPANY (US) 2000-03-07 US disclosed
WO-1999032403-A1 POLYESTER NANOCOMPOSITES FOR HIGH BARRIER APPLICATIONS EASTMAN CHEMICAL COMPANY (US) 1999-07-01 WO disclosed