SCHEMBL5339875

SCHEMBL5339875

O=C(O)CCCCCOc1cc(Cl)c(Cl)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
THRB P10828 2/20 0.48
THRA P10827 1/20 0.48
RAB9A P51151 1/20 0.48
TSHR P16473 3/20 0.46
ALDH1A1 P00352 1/20 0.46
PYGL P06737 1/20 0.45
LTB4R Q15722 1/20 0.44
PPARG P37231 1/20 0.44
ALB P02768 1/20 0.43
NFKB1 P19838 1/20 0.43
PMP22 Q01453 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
CNR2 P34972 1/20 0.43
PPARA Q07869 1/20 0.43
DHFR P00374 1/20 0.42

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
SCHEMBL117098 0.93 RAB9A (0.54) LMNATHRBTHRARAB9ATSHR
SCHEMBL29381732 0.93 RAB9A (0.54) LMNATHRBTHRARAB9ATSHR
SCHEMBL6288400 0.89 LMNA (0.51) LMNARAB9ATSHRPPARGTDP1
SCHEMBL5335767 0.88 LMNA (0.47) LMNATHRBTHRARAB9ATSHR
SCHEMBL10381113 0.81 RAB9A (0.70) LMNARAB9ATSHRALDH1A1TDP1
SCHEMBL10382178 0.81 RAB9A (0.70) LMNARAB9ATSHRALDH1A1TDP1
SCHEMBL5335009 0.81 LMNA (0.49) LMNATHRBTHRARAB9ATSHR
SCHEMBL4451807 0.81 RAB9A (0.51) LMNATHRBTHRARAB9ATSHR
SCHEMBL4449795 0.81 FFAR1 (0.49) LMNATHRBTHRARAB9AALDH1A1
SCHEMBL12363863 0.79 TSHR (0.50) LMNATSHRALDH1A1LTB4RALB

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-7211409-B2 Standard compound for immunoassay for dioxin and method of immunoassay for dioxin TOYO BOSEKI KABUSHIKI KAISHA (JP) 2007-05-01 US disclosed
US-7166440-B2 2,4,5-trichlorophenoxyalkyl carboxylic acid and a method for determining dioxins using the same TAKUMA CO., LTD. (JP) 2007-01-23 US disclosed
US-20060166296-A1 Standard compound for immunoassay for dioxin and method of immunoassay for dioxin TOYO BOSEKI KABUSHIKI KAISHA (JP) 2006-07-27 US disclosed
EP-1547999-A1 STANDARD COMPOUND FOR IMMUNOASSAY FOR DIOXIN AND METHOD OF IMMUNOASSAY FOR DIOXIN Toyo Boseki Kabushiki Kaisha (JP) 2005-06-29 EP disclosed
US-20040191846-A1 2,4,5-Trichlorophenoxyalkyl carboxylic acid and a method for determining dioxins using the same TAKUMA CO., LTD. (JP) 2004-09-30 US disclosed