SCHEMBL11548150

SCHEMBL11548150

OCCOCc1cc(Br)c(COCCO)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.33
PTPN1 P18031 1/20 0.33
APP P05067 1/20 0.33

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
SCHEMBL11550825 0.87 PTPN1 (0.31) PTPN1
SCHEMBL6097552 0.77 IDO1 (0.53) MEN1KMT2AALDH1A1
SCHEMBL5184550 0.75 IDO1 (0.30)
SCHEMBL479252 0.74 TSHR (0.32) TSHRMAPK1MEN1KMT2A
SCHEMBL6097310 0.74 IDO1 (0.50) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL6093804 0.74 IDO1 (0.50) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL22123237 0.73 TSHR (0.43) TSHRMAPK1KMT2AALDH1A1APP
SCHEMBL8250874 0.72 TSHR (0.42) TSHRMEN1KMT2AALDH1A1PTPN1
SCHEMBL11546620 0.71
SCHEMBL24117463 0.69 KDM4E (0.51) MAPK1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4171456-A α,α'-Bis(2-hydroxyethoxy)-2,3,5,6-tetrabromo-p-xylene ETHYL CORPORATION (US) 1979-10-16 US disclosed