SCHEMBL9861630

SCHEMBL9861630

O=C(OCC1CO1)c1c(Br)c(Br)c(OCC2CO2)c(Br)c1Br

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TP53 P04637 2/20 0.39
CYP3A4 P08684 2/20 0.39
MGLL Q99685 4/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DHFR P00374 1/20 0.34
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 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
SCHEMBL1714534 0.90 ALDH1A1 (0.46) ALDH1A1TP53CYP3A4MGLLL3MBTL1
SCHEMBL5704284 0.85 ALDH1A1 (0.44) ALDH1A1TP53CYP3A4MGLLL3MBTL1
SCHEMBL9861683 0.81 TDP1 (0.47) ALDH1A1TP53CYP3A4TDP1TSHR
SCHEMBL21870056 0.79 TDP1 (0.42) ALDH1A1TP53CYP3A4TDP1TSHR
SCHEMBL18297877 0.79 TDP1 (0.45) ALDH1A1TP53CYP3A4TDP1TSHR
SCHEMBL9860876 0.77 ALDH1A1 (0.38) ALDH1A1TP53CYP3A4MGLLL3MBTL1
SCHEMBL1643685 0.73 ALDH1A1 (0.47) ALDH1A1TP53CYP3A4MGLLL3MBTL1
SCHEMBL25285163 0.73 ALDH1A1 (0.46) ALDH1A1TP53CYP3A4MGLLL3MBTL1
SCHEMBL1715943 0.73 ALDH1A1 (0.46) ALDH1A1TP53CYP3A4MGLLL3MBTL1
SCHEMBL25314656 0.73 ALDH1A1 (0.46) ALDH1A1TP53CYP3A4MGLLL3MBTL1

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-5034440-A Halogenated polyesters modified with glycidyl groups for fireproof electrical wire covers POLYPLASTICS CO., LTD. (JP) 1991-07-23 US disclosed