SCHEMBL9860876

SCHEMBL9860876

O=C(OCC1CO1)c1c(Br)c(Br)c(Br)c(Br)c1CC1CO1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
MGLL Q99685 5/20 0.34
DHFR P00374 1/20 0.33
MAPK1 P28482 1/20 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
SCHEMBL5704284 0.87 ALDH1A1 (0.44) ALDH1A1TP53CYP3A4L3MBTL1MGLL
SCHEMBL1714534 0.85 ALDH1A1 (0.46) ALDH1A1TP53CYP3A4L3MBTL1MGLL
SCHEMBL25313187 0.78 ALDH1A1 (0.40) ALDH1A1TP53CYP3A4L3MBTL1MGLL
SCHEMBL28346828 0.78 ALDH1A1 (0.40) ALDH1A1TP53CYP3A4L3MBTL1MGLL
SCHEMBL9861630 0.77 ALDH1A1 (0.39) ALDH1A1TP53CYP3A4L3MBTL1MGLL
SCHEMBL1715943 0.72 ALDH1A1 (0.46) ALDH1A1TP53CYP3A4L3MBTL1MGLL
SCHEMBL25285163 0.72 ALDH1A1 (0.46) ALDH1A1TP53CYP3A4L3MBTL1MGLL
SCHEMBL25314656 0.72 ALDH1A1 (0.46) ALDH1A1TP53CYP3A4L3MBTL1MGLL
SCHEMBL1715029 0.72 ALDH1A1 (0.46) ALDH1A1TP53CYP3A4L3MBTL1MGLL
SCHEMBL9615793 0.72 ALDH1A1 (0.46) ALDH1A1TP53CYP3A4L3MBTL1MGLL

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