SCHEMBL7783160

SCHEMBL7783160

O=C(O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCCOC(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.34
PRSS1 P07477 3/20 0.34
PRSS2 P07478 3/20 0.34
PRSS3 P35030 3/20 0.34
SERPINE1 P05121 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP1A2 P05177 1/20 0.31
ESR1 P03372 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
PTPN1 P18031 1/20 0.30
USP2 O75604 1/20 0.30
ESR2 Q92731 1/20 0.30

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
Ethylenediamine SCHEMBL11297757 0.94 F2 (0.35) F2PRSS1PRSS2PRSS3SERPINE1
SCHEMBL27457725 0.92 TDP1 (0.38) F2PRSS1PRSS2PRSS3SERPINE1
SCHEMBL4456791 0.90 ALDH1A1 (0.33) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL29445809 0.89
SCHEMBL11871467 0.85 ESR1 (0.50) TDP1CYP1A2ESR1ALDH1A1LMNA
SCHEMBL10717061 0.85 THRB (0.45) F2PRSS1PRSS2PRSS3TDP1
SCHEMBL9157297 0.83 ALDH1A1 (0.47) TDP1ALDH1A1LMNATSHRUSP2
SCHEMBL8470318 0.82 ALDH1A1 (0.49) ESR1ALDH1A1LMNATSHR
SCHEMBL9856688 0.82 ALDH1A1 (0.49) ESR1ALDH1A1LMNATSHR
SCHEMBL7946728 0.82 ALDH1A1 (0.49) ESR1ALDH1A1LMNATSHR

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
EP-0814121-B1 Low density, fire retardant one-part epoxy composition MINNESOTA MINING & MFG (US) 2001-09-26 EP disclosed
EP-0814121-A1 Low density, fire retardant one-part epoxy composition MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-12-29 EP disclosed
EP-0388037-A2 Low density self-extinguishing epoxide composition MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-09-19 EP disclosed