SCHEMBL9850658

SCHEMBL9850658

Cc1c(O)cc(Br)c(CBr)c1Br

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.36
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
CYP3A4 P08684 1/20 0.31
PTPN1 P18031 2/20 0.31

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
SCHEMBL10434111 0.75 ACHE (0.43) ACHEALOX15ALOX12CYP3A4PTPN1
SCHEMBL28498022 0.75 ACHE (0.43) ACHEALOX15ALOX12CYP3A4
SCHEMBL6645692 0.73 MEN1 (0.38) PTPN1
SCHEMBL9850653 0.72 NQO2 (0.35) ALOX15ALOX12CYP3A4
SCHEMBL21883741 0.71 ACHE (0.50) ACHEALOX15ALOX12CYP3A4PTPN1
SCHEMBL9174658 0.70 CA1 (0.35) ALOX15ALOX12CYP3A4PTPN1
SCHEMBL6825519 0.70 ALDH1A1 (0.38) ALOX15ALOX12CYP3A4PTPN1
SCHEMBL27584888 0.70 ACHE (0.43) ACHEALOX15ALOX12CYP3A4
SCHEMBL14703275 0.69
SCHEMBL22112316 0.67 ACHE (0.46) ACHEALOX15ALOX12CYP3A4

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
EP-0427959-A2 Meta-halogenated dibenzylphenols THE DOW CHEMICAL COMPANY (US) 1991-05-22 EP disclosed